Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2761472

CC(C)(C)CC(C)(C)c1ccc(OCCOCCNCc2ccccc2)cc1.Cl

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 known ✓ P04626 2/20 0.61
▸ CHRM2 known ✓ P08172 2/20 0.61
▸ CHRM4 known ✓ P08173 2/20 0.61
▸ CHRM5 known ✓ P08912 2/20 0.61
▸ ADRA2A known ✓ P08913 2/20 0.61
▸ CHRM1 known ✓ P11229 2/20 0.61
▸ ADRA2B known ✓ P18089 2/20 0.61
▸ ADRA2C known ✓ P18825 2/20 0.61
▸ CHRM3 known ✓ P20309 2/20 0.61
▸ ACHE known ✓ P22303 2/20 0.61
▸ SLC6A2 known ✓ P23975 2/20 0.61
▸ HTR2A known ✓ P28223 2/20 0.61
▸ HTR2C known ✓ P28335 2/20 0.61
▸ SLC6A4 known ✓ P31645 2/20 0.61
▸ SLC6A3 known ✓ Q01959 2/20 0.61
▸ KCNH2 known ✓ Q12809 2/20 0.61
▸ ESR1 known ✓ P03372 1/20 0.61
▸ NR3C1 known ✓ P04150 1/20 0.61
▸ ADRB2 known ✓ P07550 1/20 0.61
▸ ADRB1 known ✓ P08588 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19074259 0.99 LMNA (0.63) LMNATDP1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL29999168 0.93 KMT2A (0.65) LMNATDP1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL426560 0.89 KMT2A (0.60) LMNATDP1KMT2AALDH1A1HTT
SCHEMBL26657537 0.81 SMN1; SMN2 (0.67) LMNATDP1KMT2AALDH1A1HTT
SCHEMBL9157035 0.80 TSHR (0.47) LMNATDP1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL426559 0.78 TSHR (0.60) LMNATDP1KMT2AALDH1A1HTT
Benzethonium SCHEMBL22711570 0.78 SMN1; SMN2 (0.98) LMNATDP1KMT2AALDH1A1HTT
Benzethonium SCHEMBL1282115 0.78 SMN1; SMN2 (0.98) LMNATDP1KMT2AALDH1A1HTT
Benzethonium SCHEMBL7271853 0.77 SMN1; SMN2 (0.95) LMNATDP1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL9822937 0.77 SMN1; SMN2 (0.59) LMNATDP1KMT2AALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4351774-A1 COMPOSITIONS CONTAINING COLOUR-NEUTRAL DEGRADABLE MICROCAPSULES Henkel AG & Co. KGaA (DE) 2024-04-17 — — EP disclosed
EP-3800184-B1 ACETAL / KETAL-BASED FRAGRANCE AND INSECT REPELLENT PRECURSOR COMPOUNDS HENKEL AG & CO KGAA (DE) 2024-04-03 — — EP disclosed
EP-4198114-A1 AGENTS CONTAINING EMULSIFIER AND MICROCAPSULES Henkel AG & Co. KGaA (DE) 2023-06-21 — — EP disclosed
EP-4198113-A1 COMPOSITIONS COMPRISING EMULSIFIER AND MICROCAPSULES Henkel AG & Co. KGaA (DE) 2023-06-21 — — EP disclosed
EP-4198115-A1 COMPOSITION COMPRISING EMULSIFIER AND MICROCAPSULES WITH PERFUME COMPOSITION Henkel AG & Co. KGaA (DE) 2023-06-21 — — EP disclosed
US-20230183620-A1 AGENT CONTAINING EMULSIFIER AND MICROCAPSULES HENKEL AG & CO. KGAA (DE) 2023-06-15 — — US disclosed
WO-2022258808-A1 COMPOSITIONS CONTAINING COLOUR-NEUTRAL DEGRADABLE MICROCAPSULES HENKEL AG & CO. KGAA (DE) 2022-12-15 — — WO disclosed
EP-4101528-A1 COMPOSITION COMPRISING COLOUR-NEUTRAL DEGRADABLE MICROCAPSULES Henkel AG & Co. KGaA (DE) 2022-12-14 — — EP disclosed
EP-4101529-A1 COMPOSITION COMPRISING COLOUR-NEUTRAL DEGRADABLE MICROCAPSULES WITH PERFUME COMPOSITION Henkel AG & Co. KGaA (DE) 2022-12-14 — — EP disclosed
EP-3898920-A1 BLEACH ACTIVATORS CONTAINING TWO QUARTERNARY AMMONIUM GROUPS Henkel AG & Co. KGaA (DE) 2021-10-27 — — EP disclosed
WO-2010105873-A2 LILIAL SUBSTITUTE HENKEL AG & CO. KGAA (DE) 2010-09-23 — — WO disclosed
WO-2010105874-A1 LILIAL SURROGATE HENKEL AG & CO. KGAA (DE) 2010-09-23 — — WO disclosed
EP-2211829-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS Henkel AG & Co. KGaA (DE) 2010-08-04 — — EP disclosed
WO-2010084203-A1 ADDITIONAL LAUNDRY ITEM HENKEL AG & CO. KGAA (DE) 2010-07-29 — — WO disclosed
WO-2009059858-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO. KGAA (DE) 2009-05-14 — — WO disclosed
WO-2008119830-A2 FIXATING FRAGRANCES ORIGINATING FROM DETERGENTS AND CLEANING AGENTS ON HARD AND SOFT SURFACES HENKEL AG & CO. KGAA (DE) 2008-10-09 — — WO disclosed
WO-2007079857-A1 FRAGRANCE FIXING FROM WASHING AND CLEANING COMPOSITIONS TO HARD AND SOFT SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-07-19 — — WO disclosed
WO-2007079860-A1 FIXING OF FRAGRANCES FROM WASHING AND CLEANING AGENTS TO HARD AND SOFT SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-07-19 — — WO disclosed
US-5797749-A APPLYING A MIXTURE OF BENZETHONIUM CHLORIDE, HYDROXYETHYL ACRYLATE/2-/, SODIUM FLUORIDE AND WATER TO THE CLEANED AND ACID ETCHED SURFACE OF DAMAGED TOOTH WITH EXPOSED DENTIN, WHICH PERMEATES TO THE EXPOSED SURFACE TO SEAL EXPOSED DENTIN DANVILLE MATERIALS (US) 1998-08-25 — — US disclosed
EP-0295859-B1 Production of proteins in active forms SOUTHERN CROSS BIOTECH PTY LTD (AU) 1994-11-17 — — EP disclosed
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