Acetic Acid

Acetic Acid

SCHEMBL1229943

CC(=O)[O-].CC(=O)[O-].Cc1cc(C)c(O)c(C=Nc2cccc3cccc(N=Cc4cc(C)cc(C)c4O)c23)c1.[Co+2]

nearest known ligand 0.43

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 9/20 0.43
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 7/20 0.43
HPGD P15428 6/20 0.43
POLB P06746 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 4/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
ALOX15 P16050 2/20 0.43
MPI P34949 2/20 0.43
ALOX12 P18054 2/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
BACE1 P56817 1/20 0.43
DHODH Q02127 2/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40

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 SCHEMBL1229013 0.91 ALDH1A1 (0.45) MAPTALDH1A1KDM4EHPGDPOLB
Acetic Acid SCHEMBL1229389 0.89 MAPT (0.41) MAPTALDH1A1KDM4EHPGDPOLB
Acetic Acid SCHEMBL1229774 0.87 MAPT (0.38) MAPTALDH1A1KDM4EHPGDPOLB
Acetic Acid SCHEMBL1228046 0.87 ALDH1A1 (0.42) MAPTALDH1A1KDM4EHPGDPOLB
Acetic Acid SCHEMBL1227519 0.86 MAPT (0.41) MAPTALDH1A1KDM4EHPGDPOLB
Acetic Acid SCHEMBL1228317 0.86 ALDH1A1 (0.47) MAPTALDH1A1KDM4EHPGDPOLB
Acetic Acid SCHEMBL1229907 0.86 G6PD (0.39) MAPTALDH1A1KDM4EHPGDPOLB
Acetic Acid SCHEMBL1229835 0.86 ALDH1A1 (0.38) MAPTALDH1A1KDM4EHPGDPOLB
Acetic Acid SCHEMBL1229979 0.86 ALDH1A1 (0.37) MAPTALDH1A1KDM4EHPGDPOLB
Acetic Acid SCHEMBL1229869 0.86 SIRT2 (0.37) MAPTALDH1A1KDM4EHPGDPOLB

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