Acetic Acid

Acetic Acid

SCHEMBL10795331

CC(=O)O.CC(=O)O.CC(=O)O.OCCCCCCC(CO)CO

nearest known ligand 0.48

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 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
GPR84 Q9NQS5 5/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 2/20 0.38
GSTK1 Q9Y2Q3 2/20 0.36
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
PTPN1 P18031 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33

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 SCHEMBL10799491 1.00 LMNA (0.48) LMNAGPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL10795865 1.00 LMNA (0.48) LMNAGPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL10794551 1.00 LMNA (0.48) LMNAGPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL10798034 0.98 LMNA (0.44) LMNAGPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL3683183 0.91 ALDH1A1 (0.41) LMNAGPR84FFAR1FFAR4ALDH1A1
Acetic Acid SCHEMBL540581 0.91 ALDH1A1 (0.41) LMNAGPR84FFAR1FFAR4ALDH1A1
Bicarbonate SCHEMBL10848259 0.91 LMNA (0.46) LMNAGPR84FFAR1FFAR4ALDH1A1
Bicarbonate SCHEMBL10850855 0.88 LMNA (0.42) LMNAGPR84FFAR1FFAR4ALDH1A1
Methacrylic Acid SCHEMBL6426046 0.88 LMNA (0.42) LMNAGPR84FFAR1FFAR4ALDH1A1
Methacrylic Acid SCHEMBL9183114 0.88 LMNA (0.42) LMNAGPR84FFAR1FFAR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4655947-A FOR HOT AND COLD ROLLING ALUMINUM AND ALLOYS THEREOF ALUMINUM COMPANY OF AMERICA (US) 1987-04-07 US claimed
US-4655947-A FOR HOT AND COLD ROLLING ALUMINUM AND ALLOYS THEREOF ALUMINUM COMPANY OF AMERICA (US) 1987-04-07 US disclosed