Acetic Acid

Acetic Acid

SCHEMBL31647771

CC(=O)O.COC(=O)COc1nc(-c2ccc(F)cc2F)n(-c2ccc(Cl)cc2F)n1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

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 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 10/20 0.39
▸ PTGER1 P34995 3/20 0.39
▸ CNR2 P34972 3/20 0.39
▸ KCNN4 O15554 1/20 0.37
▸ P2RX7 Q99572 2/20 0.36
▸ SLC34A1 Q06495 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL30504668 0.97 CNR1 (0.41) CNR1PTGER1CNR2KCNN4P2RX7
SCHEMBL30504677 0.97 CNR1 (0.41) CNR1PTGER1CNR2KCNN4P2RX7
SCHEMBL30439038 0.93 CNR1 (0.43) CNR1KCNN4
SCHEMBL31647489 0.91 AKR1B1 (0.38) CNR1PTGER1CNR2KCNN4P2RX7
SCHEMBL25250556 0.89 PTGDR2 (0.43) CNR1PTGER1CNR2P2RX7
SCHEMBL25248016 0.89 PTGDR2 (0.43) CNR1PTGER1CNR2P2RX7
SCHEMBL30897435 0.88 CNR1 (0.39) CNR1PTGER1KCNN4L3MBTL1
SCHEMBL30886895 0.88 CNR1 (0.39) CNR1PTGER1KCNN4L3MBTL1
SCHEMBL30897433 0.88 CNR1 (0.39) CNR1PTGER1KCNN4L3MBTL1
SCHEMBL23447245 0.88 CNR1 (0.46) CNR1CNR2KCNN4

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
WO-2025132162-A1 HERBICIDAL COMPOSITIONS BAYER AKTIENGESELLSCHAFT (DE) 2025-06-26 — — WO disclosed
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