Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9265067

Cl.N[C@@H](Cc1ccccc1)C(=O)CCCC(=O)O

nearest known ligand 0.97

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
▸ PTGS1 known ✓ P23219 1/20 0.58
▸ HDAC8 known ✓ Q9BY41 2/20 0.50
▸ HDAC3 known ✓ O15379 1/20 0.50
▸ ADRA1A known ✓ P35348 1/20 0.50
▸ HDAC4 known ✓ P56524 1/20 0.50
▸ SLC6A3 known ✓ Q01959 1/20 0.50
▸ HDAC1 known ✓ Q13547 1/20 0.50
▸ HDAC7 known ✓ Q8WUI4 1/20 0.50
▸ HDAC2 known ✓ Q92769 1/20 0.50
▸ HDAC10 known ✓ Q969S8 1/20 0.50
▸ HDAC11 known ✓ Q96DB2 1/20 0.50
▸ HDAC6 known ✓ Q9UBN7 1/20 0.50
▸ HDAC9 known ✓ Q9UKV0 1/20 0.50
▸ HDAC5 known ✓ Q9UQL6 1/20 0.50
▸ ACE known ✓ P12821 2/20 0.49
▸ LTA4H P09960 1/20 0.97
▸ SLC15A1 P46059 1/20 0.78
▸ ALPI P09923 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ XIAP P98170 1/20 0.58

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
Hydrochloric Acid SCHEMBL11123747 0.90 SLC15A1 (0.96) LTA4HSLC15A1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL11123752 0.90 SLC15A1 (0.96) LTA4HSLC15A1ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL11123750 0.90 SLC15A1 (0.96) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL11124563 0.88 SLC15A1 (1.00) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL11124554 0.88 SLC15A1 (1.00) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL11124557 0.88 SLC15A1 (1.00) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL13515476 0.83 LTA4H (0.73) LTA4HSLC15A1ALPIPKMPTGS1
Phenylalanine SCHEMBL15656236 0.83 SLC7A5 (0.79) LTA4HSLC15A1ALPIPKMPTGS1
Dl-Phenylalanine SCHEMBL15656237 0.83 SLC7A5 (0.79) LTA4HSLC15A1ALPIPKMPTGS1
SCHEMBL16657025 0.81 LTA4H (0.69) LTA4HSLC15A1ALPIPKMPTGS1

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-5455271-A Using aromatic amine derivitives as mosquito insecticide THE SCRIPPS RESEARCH INSTITUTE (US) 1995-10-03 — — US disclosed
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