Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11529373

CCN(CC)CCOc1ccc(C(C)(CC(=O)c2ccccc2)c2ccccc2)c(C)c1.Cl

nearest known ligand 0.48

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
▸ ESR1 known ✓ P03372 5/20 0.46
▸ CHRM2 known ✓ P08172 5/20 0.43
▸ CHRM1 known ✓ P11229 4/20 0.43
▸ CHRM3 known ✓ P20309 3/20 0.43
▸ KCNH2 known ✓ Q12809 2/20 0.43
▸ SIGMAR1 known ✓ Q99720 2/20 0.43
▸ ADRA2A known ✓ P08913 2/20 0.43
▸ PTGS1 known ✓ P23219 2/20 0.43
▸ SLC6A2 known ✓ P23975 2/20 0.43
▸ SLC6A4 known ✓ P31645 2/20 0.43
▸ DRD3 known ✓ P35462 2/20 0.43
▸ HTR6 known ✓ P50406 2/20 0.43
▸ SLC6A3 known ✓ Q01959 2/20 0.43
▸ CHRM4 known ✓ P08173 2/20 0.43
▸ CHRM5 known ✓ P08912 2/20 0.43
▸ EGFR known ✓ P00533 1/20 0.43
▸ ERBB2 known ✓ P04626 1/20 0.43
▸ ADRB3 known ✓ P13945 1/20 0.43
▸ ADRA2B known ✓ P18089 1/20 0.43
▸ ADRA2C known ✓ P18825 1/20 0.43

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
SCHEMBL11526925 0.99 ESR1 (0.47) ESR1KMT2AMEN1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL11529376 0.85 MAOB (0.49) ESR1KMT2AMEN1KDM4ECYP2D6
SCHEMBL11526930 0.83 MAOB (0.50) ESR1KMT2AMEN1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL11528322 0.82 CHRM2 (0.45) ESR1KMT2AMEN1KDM4ECYP2D6
SCHEMBL11527526 0.81 CHRM2 (0.46) ESR1KMT2AMEN1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL11528326 0.78 CHRM2 (0.46) KMT2AMEN1KDM4ECYP2D6LMNA
SCHEMBL11529638 0.77 CHRM2 (0.46) KMT2AMEN1KDM4ECYP2D6LMNA
Hydrochloric Acid SCHEMBL11533365 0.77 CYP3A4 (0.44) ESR1KMT2AMEN1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL11529362 0.76 HTR1D (0.42) ESR1KMT2AMEN1KDM4ECYP2D6
Dichloroacetic Acid SCHEMBL11526210 0.76 CHRM2 (0.41) KMT2AMEN1KDM4ECYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 — — US disclosed
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