Acetic Acid

Acetic Acid

SCHEMBL9815548

CC(=O)O.CCCCc1ccccc1O

nearest known ligand 0.57

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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 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.57
MCL1 Q07820 6/20 0.57
BCL2L1 Q07817 5/20 0.57
BAK1 Q16611 5/20 0.57
KAT8 Q9H7Z6 2/20 0.57
SAE1 Q9UBE0 2/20 0.57
PPARG P37231 1/20 0.57
PPARA Q07869 1/20 0.57
EP300 Q09472 1/20 0.57
KAT2A Q92830 1/20 0.57
KAT2B Q92831 1/20 0.57
KAT5 Q92993 1/20 0.57
AKR1B1 P15121 1/20 0.52
HTR1A P08908 1/20 0.51
TSHR P16473 1/20 0.51
TYR P14679 1/20 0.50
MMP2 P08253 2/20 0.49
F7 P08709 2/20 0.49
F3 P13726 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
Bicarbonate SCHEMBL4267974 0.94 BID (0.58) BIDMCL1BCL2L1BAK1KAT8
Acetone SCHEMBL25277794 0.94 BID (0.54) BIDMCL1BCL2L1BAK1KAT8
Acetic Acid SCHEMBL27988491 0.93 BID (0.67) BIDMCL1BCL2L1BAK1KAT8
Acetic Acid SCHEMBL7637677 0.93 BID (0.67) BIDMCL1BCL2L1BAK1KAT8
Benzene SCHEMBL9052791 0.92 HTR1A (0.58) BIDMCL1BCL2L1BAK1KAT8
Propionic Acid SCHEMBL8222391 0.91 BID (0.55) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL20232 0.90 HTR1A (0.60) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29450060 0.90 HTR1A (0.60) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9319489 0.90 HTR1A (0.60) BIDMCL1BCL2L1BAK1KAT8
Urea SCHEMBL27306115 0.89 BID (0.53) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257845-B1 METHOD OF PRODUCING VARIEGATED PLANTS Taguchi, Masayasu (JP) 1991-10-16 EP claimed
EP-0257845-A2 Method of producing variegated plants Taguchi, Masayasu (JP) 1988-03-02 EP claimed
CN-110719768-A Powder comprising crystals having inclusions encapsulated therein 西姆莱斯有限公司 2020-01-21 CN disclosed
CN-105017240-A Pesticidal compositions DOW AGROSCIENCES LLC 2015-11-04 CN disclosed
CN-101033400-A Stable green fluorescence powder and plasma displaying panel using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2007-09-12 CN disclosed
CN-1965054-A Green light emitting phosphor material and plasma display panel using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2007-05-16 CN disclosed
EP-0257845-B1 METHOD OF PRODUCING VARIEGATED PLANTS Taguchi, Masayasu (JP) 1991-10-16 EP disclosed
EP-0257845-A2 Method of producing variegated plants Taguchi, Masayasu (JP) 1988-03-02 EP disclosed