Acetic Acid

Acetic Acid

SCHEMBL16244302

CC(=O)O.CC(=O)O.CCN(CC)CC.CCN(CC)CC

nearest known ligand 0.50

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
AGTR1 known ✓ P30556 1/20 0.35
FFAR3 O14843 3/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
TRPA1 O75762 1/20 0.39
PAOX Q6QHF9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
LMNA P02545 3/20 0.35

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 SCHEMBL28664565 1.00 FFAR3 (0.50) FFAR3LCKFYNCHRM2CHRM4
Acetic Acid SCHEMBL22152 1.00 FFAR3 (0.50) FFAR3LCKFYNCHRM2CHRM4
Acetic Acid SCHEMBL28289424 1.00 FFAR3 (0.50) FFAR3LCKFYNCHRM2CHRM4
Acetic Acid SCHEMBL28549045 1.00 FFAR3 (0.50) FFAR3LCKFYNCHRM2CHRM4
Acetic Acid SCHEMBL31218573 1.00 FFAR3 (0.50) FFAR3LCKFYNCHRM2CHRM4
Acetic Acid SCHEMBL19356582 1.00 FFAR3 (0.50) FFAR3LCKFYNCHRM2CHRM4
Acetic Acid SCHEMBL6368562 0.97 FFAR3 (0.47) FFAR3LCKFYNCHRM2CHRM4
Acetic Acid SCHEMBL20577632 0.97 FFAR3 (0.47) FFAR3LCKFYNCHRM2CHRM4
Acetic Acid SCHEMBL9319460 0.97 FFAR3 (0.47) FFAR3LCKFYNCHRM2CHRM4
Acetic Acid SCHEMBL2282544 0.97 FFAR3 (0.47) FFAR3LCKFYNCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066009-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools CHEMGENES CORP (US) 2018-03-08 US disclosed
US-9718855-B2 Nucleosides and oligonucleotides for studies on reversal of cytotoxic and mutagenic damage of DNA and as diagnostics tools CHEMGENES CORPORATION (US) 2017-08-01 US disclosed
US-20140350234-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools CHEMGENES CORPORATION (US) 2014-11-27 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-20140350234-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools UNG, OGG1, ADAR AGTR1 2211/4885FFAR3 2932/4885LCK 3766/4885
US-20180066009-A1 Nucleosides and Oligonucleotides for Studies on Reversal of Cytotoxic and Mutagenic Damage of DNA and as Diagnostics Tools UNG, OGG1, ADAR AGTR1 2211/4885FFAR3 2932/4885LCK 3766/4885

“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.