Acetic Acid

Acetic Acid

SCHEMBL1047085

CC(=O)[O-].CCCCOc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

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
LTA4H P09960 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
PDE4A P27815 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 1/20 0.44

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
Hydrochloric Acid SCHEMBL1047049 0.89 LTA4H (0.54) LTA4HKDM4ECYP1A2CYP2D6PDE4A
Bromide SCHEMBL1045380 0.89 LTA4H (0.54) LTA4HKDM4ECYP1A2CYP2D6PDE4A
Fluoride Ion SCHEMBL1149913 0.87 LTA4H (0.53) LTA4HKDM4ECYP1A2CYP2D6PDE4A
Fluoride SCHEMBL1149915 0.87 LTA4H (0.53) LTA4HKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL1149780 0.85 LTA4H (0.50) LTA4HKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL1076268 0.85 LTA4H (0.50) LTA4HKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL1148895 0.82 LTA4H (0.47) LTA4HKDM4ECYP1A2CYP2D6PDE4A
Bicarbonate SCHEMBL28258919 0.76 LTA4H (0.67) LTA4HFAAHTP53TSHRPLA2G4B
Acetic Acid SCHEMBL1042649 0.76 LTA4H (0.46) LTA4HKDM4ECYP1A2CYP2D6PDE4A
Acetone SCHEMBL28189561 0.76 LTA4H (0.71) LTA4HFAAHTP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530617-B2 Silicon-containing particle, process for producing the same, organic-polymer composition, ceramic, and process for producing the same DOW CORNING TORAY COMPANY, LTD. (JP) 2013-09-10 US disclosed
US-8450231-B2 Silicon-containing particles, method for manufacturing thereof, oil composition, ceramic material, and method for manufacturing thereof DOW CORNING TORAY COMPANY, LTD. (JP) 2013-05-28 US disclosed
EP-2461397-A1 ELECTRODE ACTIVE MATERIAL, ELECTRODE, AND ELECTRICITY STORAGE DEVICE Dow Corning Toray Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20110045963-A1 Silicon-Containing Particles, Method For Manufacturing Thereof, Oil Composition, Ceramic Material, And Method For Manufacturing Thereof DOW CORNING TORAY COMPANY, LTD. (JP) 2011-02-24 US disclosed
US-20110033708-A1 Silicon-Containing Particle, Process For Producing The Same, Organic-Polymer Composition, Ceramic, And Process For Producing The Same DOW CORNING TORAY COMPANY, LTD. (JP) 2011-02-10 US disclosed
EP-2271702-A2 SILICON-CONTAINING PARTICLES, METHOD FOR MANUFACTURING THEREOF, OIL COMPOSITION, CERAMIC MATERIAL, AND METHOD FOR MANUFACTURING THEREOF Dow Corning Toray Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2241586-A1 SILICON-CONTAINING PARTICLE, PROCESS FOR PRODUCING THE SAME, ORGANIC-POLYMER COMPOSITION, CERAMIC, AND PROCESS FOR PRODUCING THE SAME Dow Corning Toray Co., Ltd. (JP) 2010-10-20 EP disclosed
WO-2009133765-A2 SILICON-CONTAINING PARTICLES, METHOD FOR MANUFACTURING THEREOF, OIL COMPOSITION, CERAMIC MATERIAL, AND METHOD FOR MANUFACTURING THEREOF DOW CORNING TORAY CO., LTD. (JP) 2009-11-05 WO 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 (1 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-20110033708-A1 Silicon-Containing Particle, Process For Producing The Same, Organic-Polymer Composition, Ceramic, And Process For Producing The Same SKP1, SPOP, SSRP1 LTA4H 1815/4885KDM4E 1414/4885CYP1A2 2973/4885

“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.