Acetic Acid

Acetic Acid

SCHEMBL9168699

CC(=O)[O-].CC(=O)[O-].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].NCCN.NCCN.[Cu+2].[Cu+2]

nearest known ligand 0.46

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 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.46
BID P55957 3/20 0.40
MCL1 Q07820 3/20 0.40
PPARA Q07869 3/20 0.40
BCL2L1 Q07817 2/20 0.40
BAK1 Q16611 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
PPARG P37231 2/20 0.40
EP300 Q09472 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
KAT5 Q92993 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
METAP2 P50579 1/20 0.39
CYSLTR2 Q9NS75 6/20 0.39
CYSLTR1 Q9Y271 6/20 0.39

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
Ethylenediamine SCHEMBL408137 0.93 LIPG (0.47) LIPGBIDMCL1PPARABCL2L1
Ethylenediamine SCHEMBL30441324 0.93 LIPG (0.47) LIPGBIDMCL1PPARABCL2L1
Bicarbonate SCHEMBL11369971 0.88 LIPG (0.51) LIPGBIDMCL1PPARABCL2L1
Urea SCHEMBL28313063 0.88 LIPG (0.51) LIPGBIDMCL1PPARABCL2L1
SCHEMBL2494279 0.88 LIPG (0.53) LIPGBIDMCL1PPARABCL2L1
SCHEMBL1374662 0.88 LIPG (0.53) LIPGBIDMCL1PPARABCL2L1
SCHEMBL31429057 0.88 LIPG (0.53) LIPGBIDMCL1PPARABCL2L1
SCHEMBL29435453 0.88 LIPG (0.53) LIPGBIDMCL1PPARABCL2L1
SCHEMBL1401303 0.88 LIPG (0.53) LIPGBIDMCL1PPARABCL2L1
Monoethanolamine SCHEMBL9125956 0.87 LIPG (0.48) LIPGBIDMCL1PPARABCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434464-B1 Transition-metal free Lubricant ETHYL PETROLEUM ADDITIVES LTD (GB) 1995-02-15 EP claimed
EP-0120665-B1 SOLUBLE OIL CUTTING FLUID The British Petroleum Company p.l.c. (GB) 1987-05-13 EP claimed
US-5436284-A Preventing attachment of organisms to surfaces of structures submerged in seawater NOF CORPORATION (JP) 1995-07-25 US disclosed