Acetic Acid

Acetic Acid

SCHEMBL11261784

CC(=O)O.Clc1ccc(CCC2(Cn3ccnc3)SCCS2)cc1

nearest known ligand 0.85

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Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.54

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
SCHEMBL10247468 0.92 HMOX1 (0.56) HMOX1
Hydrochloric Acid SCHEMBL410505 0.91 HMOX1 (0.56) HMOX1
SCHEMBL11256591 0.88 HMOX1 (0.54) HMOX1
SCHEMBL11272917 0.85 HMOX1 (0.51) HMOX1
Nitric Acid SCHEMBL11271447 0.84 L3MBTL1 (0.47) HMOX1
SCHEMBL11265311 0.83 HMOX1 (0.47) HMOX1
SCHEMBL10247104 0.83 CYP19A1 (0.51) HMOX1
SCHEMBL11261573 0.82 CYP1A2 (0.49) HMOX1
SCHEMBL11270241 0.82 HMOX1 (0.59) HMOX1
SCHEMBL11255611 0.82 HMOX1 (0.56) HMOX1

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed