Acetic Acid

Acetic Acid

SCHEMBL1229543

CC(=O)[O-].CC(=O)[O-].CCc1cc(C=Nc2ccccc2N=Cc2cc(CC)cc(C(C)C)c2O)c(O)c(C(C)C)c1.[Co+2]

nearest known ligand 0.41

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 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HTT P42858 3/20 0.41
ALOX15 P16050 2/20 0.41
USP2 O75604 2/20 0.41
GAA P10253 2/20 0.41
ALOX12 P18054 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KMT2A Q03164 5/20 0.40
PKM P14618 2/20 0.40
THRB P10828 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 3/20 0.39
PSMD14 O00487 1/20 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
Acetic Acid SCHEMBL1228639 0.93 MAPT (0.39) MAPTALDH1A1KDM4EHTTALOX15
Acetic Acid SCHEMBL1229909 0.92 MAPT (0.38) MAPTALDH1A1KDM4EHTTALOX15
Acetic Acid SCHEMBL1227941 0.91 MAPT (0.39) MAPTALDH1A1KDM4EHTTALOX15
Acetic Acid SCHEMBL1228443 0.90 EGFR (0.36) MAPTALDH1A1KDM4EHTTGAA
Acetic Acid SCHEMBL1229350 0.89 MAPT (0.39) MAPTALDH1A1KDM4EHTTALOX15
Acetic Acid SCHEMBL1227664 0.89 MAPT (0.37) MAPTALDH1A1KDM4EHTTALOX15
Acetic Acid SCHEMBL1230099 0.88 KMT2A (0.36) MAPTALDH1A1KDM4EHTTALOX15
Acetic Acid SCHEMBL1229232 0.87 MAPT (0.38) MAPTALDH1A1KDM4EHTTALOX15
Acetic Acid SCHEMBL1228446 0.87 MAPT (0.38) MAPTALDH1A1KDM4EHTTALOX15
Acetic Acid SCHEMBL1228913 0.86 CA2 (0.38) MAPTALDH1A1KDM4EHTTALOX15

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-20110040070-A1 ISOTACTIC POLY(ALKYLENE OXIDE) AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed