Acetic Acid

Acetic Acid

SCHEMBL8716653

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl.O.O

nearest known ligand 0.54

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 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.54
LCK P06239 1/20 0.54
FYN P06241 1/20 0.54
LMNA P02545 5/20 0.44
ALDH1A1 P00352 2/20 0.39
CA4 P22748 2/20 0.35
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
CA1 P00915 1/20 0.31
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ATM Q13315 1/20 0.30

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 SCHEMBL1615802 1.00 FFAR3 (0.54) FFAR3LCKFYNLMNAALDH1A1
Acetic Acid SCHEMBL7025787 0.96 FFAR3 (0.50) FFAR3LCKFYNLMNAALDH1A1
Acetic Acid SCHEMBL28087178 0.96 FFAR3 (0.50) FFAR3LCKFYNLMNAALDH1A1
Acetic Acid SCHEMBL8187512 0.96 FFAR3 (0.58) FFAR3LCKFYNLMNAALDH1A1
Acetic Acid SCHEMBL59229 0.96 FFAR3 (0.58) FFAR3LCKFYNLMNAALDH1A1
Acetic Acid SCHEMBL5555814 0.96 FFAR3 (0.58) FFAR3LCKFYNLMNAALDH1A1
Acetic Acid SCHEMBL7183838 0.96
Acetic Acid SCHEMBL4097452 0.92 FFAR3 (0.54) FFAR3LCKFYNLMNAALDH1A1
Acetic Acid SCHEMBL1591363 0.92 FFAR3 (0.54) FFAR3LCKFYNLMNAALDH1A1
Acetic Acid SCHEMBL694363 0.92

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-5843735-A Aklavinone C-11 hydroxylase, gene coding for same, expression vector therefor, and process for preparing hybrid antibiotics by using said vector KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1998-12-01 US disclosed