Acetic Acid

Acetic Acid

SCHEMBL5358874

CC(=O)O.CC(C)O.CCNO.O

nearest known ligand 0.37

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
FFAR3 O14843 2/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 2/20 0.32
OR51E2 Q9H255 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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 SCHEMBL5819597 0.86 FFAR3 (0.50) FFAR3LCKFYNALDH1A1TDP1
Acetic Acid SCHEMBL5870799 0.86
Acetic Acid SCHEMBL4574765 0.83 FFAR3 (0.47) FFAR3LCKFYNALDH1A1TDP1
Lactic Acid SCHEMBL28291471 0.81 TP53 (0.61) FFAR3TP53CYP2D6CYP2C19ALDH1A1
Acetic Acid SCHEMBL3042211 0.80
Acetic Acid SCHEMBL6509092 0.79 FFAR3 (0.37) FFAR3LCKFYNALDH1A1TDP1
Acetic Acid SCHEMBL6335654 0.78 FFAR3 (0.41) FFAR3LCKFYNALDH1A1TDP1
Acetic Acid SCHEMBL10486550 0.77 FFAR3 (0.47) FFAR3LCKFYNTP53ALDH1A1
Acetic Acid SCHEMBL8408056 0.76 FFAR3 (0.54) FFAR3LCKFYNTP53ALDH1A1
Acetic Acid SCHEMBL9272509 0.76 FFAR3 (0.54) FFAR3LCKFYNTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211419-B2 Mutant carbamoylphosphate synthetase and method for producing compounds derived from carbamoylphosphate AJINOMOTO CO., INC. (JP) 2007-05-01 US disclosed
US-20060035343-A1 Carbamoylphosphate synthetase and method for producing compounds derived from carbamoylphosphate AJINOMOTO CO., INC (JP) 2006-02-16 US disclosed
US-6991924-B2 Mutant carbamoylphosphate synthetase and method for producing compounds derived from carbamoylphosphate AJINOMOTO CO., INC. (JP) 2006-01-31 US disclosed
US-20030129708-A1 Mutant carbamoylphosphate synthetase and method for producing compounds derived from carbamoylphosphate AJINOMOTO CO., INC (JP) 2003-07-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030129708-A1 Mutant carbamoylphosphate synthetase and method for producing compounds derived from carbamoylphosphate UMPS, ODC1, GMPS FFAR3 2949/4885LCK 3345/4885FYN 4343/4885
US-20060035343-A1 Carbamoylphosphate synthetase and method for producing compounds derived from carbamoylphosphate UMPS, UPP1, GMPS FFAR3 2688/4885LCK 3349/4885FYN 4246/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.