Hypochlorous Acid

Hypochlorous Acid

SCHEMBL26968133

Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3c(c2)OCO3)n1.O.OCl

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Hypochlorous 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
▸ TGFBR1 P36897 20/20 0.92
▸ MAPK14 Q16539 3/20 0.92
▸ ACVR1B P36896 3/20 0.92
▸ RIPK2 O43353 2/20 0.92
▸ TDP1 Q9NUW8 2/20 0.92
▸ MTOR P42345 1/20 0.59
▸ MAPK13 O15264 1/20 0.44
▸ MAPK12 P53778 1/20 0.44
▸ MAPK11 Q15759 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TGFBR2 P37173 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
Water SCHEMBL21459280 0.97 TGFBR1 (0.98) TGFBR1MAPK14ACVR1BRIPK2TDP1
Hydrochloric Acid SCHEMBL14778775 0.96 TGFBR1 (0.98) TGFBR1MAPK14ACVR1BRIPK2TDP1
Hydrochloric Acid SCHEMBL29361019 0.96 TGFBR1 (0.98) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL29378125 0.96 TGFBR1 (1.00) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL373422 0.96 TGFBR1 (1.00) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL29358831 0.96 TGFBR1 (1.00) TGFBR1MAPK14ACVR1BRIPK2TDP1
Hydrochloric Acid SCHEMBL140197 0.95 TGFBR1 (1.00) TGFBR1MAPK14ACVR1BRIPK2TDP1
Hydrochloric Acid SCHEMBL29541686 0.95 TGFBR1 (1.00) TGFBR1MAPK14ACVR1BRIPK2TDP1
SCHEMBL4969183 0.87 TGFBR1 (0.84) TGFBR1MAPK14ACVR1BRIPK2TDP1
Hydrochloric Acid SCHEMBL29868042 0.82 TGFBR1 (0.74) TGFBR1MAPK14ACVR1BRIPK2TDP1

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
EP-3347456-B1 METHOD FOR REPRODUCIBLE DIFFERENTIATION OF CLINICAL-GRADE RETINAL PIGMENT EPITHELIUM CELLS US HEALTH (US) 2023-12-27 — — EP claimed
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