Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7213485

CCCCCCCCCCCCCCCCCC(=O)OC(C)(OC(=O)CCCCCCCCCCCCCCCCC)N(C)CCO.Cl

nearest known ligand 0.46

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 17)

geneUniProtsupporting neighboursconfidence
▸ PRKCA known ✓ P17252 2/20 0.37
▸ PRKCE known ✓ Q02156 1/20 0.37
▸ PRKCQ known ✓ Q04759 1/20 0.37
▸ PRKCD known ✓ Q05655 1/20 0.37
▸ DNM1 Q05193 2/20 0.46
▸ DGKA P23743 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ PAM P19021 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ KDM5A P29375 1/20 0.37

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
SCHEMBL5153432 0.98 DNM1 (0.47) DNM1DGKAMAPTMAPK1LMNA
SCHEMBL7171799 0.86 DNM1 (0.38) DNM1DGKAMAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL28400971 0.82 DNM1 (0.49) DNM1DGKAMAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL16611503 0.82 DNM1 (0.49) DNM1DGKAMAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL8331673 0.82 DNM1 (0.49) DNM1DGKAMAPTMAPK1LMNA
SCHEMBL6220963 0.80 DNM1 (0.50) DNM1DGKAMAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL7213491 0.76 MAPT (0.47) DNM1DGKAMAPTMAPK1LMNA
Stearic Acid SCHEMBL14964617 0.75 DNM1 (0.50) DNM1MAPTPAMMEN1KMT2A
Sulfuric Acid SCHEMBL29112174 0.75 DNM1 (0.45) DNM1DGKAMAPTMAPK1LMNA
Hydrochloric Acid SCHEMBL16611477 0.75 FAAH (0.50) DGKAMAPTLMNADUSP3MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620409-B2 A combination of dialkyl carbonate of the formula R1OC(O) OR2, wherein R1 and R2 independently of one another are a linear or branched c6-c12 alkyl group and an aminoalkyl amide of formula R3CONH(CH2)n-NR4R5; hair and skin care formulation HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-09-16 — — US disclosed
US-20020182164-A1 Hair and skin care agents HENKEL AG & CO. KGAA (DE) 2002-12-05 — — US disclosed
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