Acetic Acid

Acetic Acid

SCHEMBL3795595

C=CCNCCCC(C(=O)[O-])(N(C)C)[N+](C)(C)C.CC(=O)O

nearest known ligand 0.34

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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 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
BBOX1 O75936 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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 SCHEMBL3459099 0.75 BBOX1 (0.34) BBOX1
SCHEMBL724271 0.75 ALDH1A1 (0.36) ALDH1A1GAAKMT2AKDM4EMEN1
SCHEMBL9275326 0.70 BBOX1 (0.37) BBOX1
SCHEMBL3903140 0.69 ODC1 (0.32) KDM4ELMNARAB9A
Acetic Acid SCHEMBL20956962 0.68 FAAH (0.46) ALDH1A1GAAKMT2AKDM4EMEN1
Acetic Acid SCHEMBL19991790 0.67 PAOX (0.47) ALDH1A1GAAKMT2AKDM4EMEN1
SCHEMBL7132370 0.67 BBOX1 (0.36) ALDH1A1GAAKMT2AKDM4EMEN1
Acetic Acid SCHEMBL7917433 0.66 ALDH1A1 (0.38) ALDH1A1GAAKMT2AKDM4EMEN1
Acetic Acid SCHEMBL27888297 0.66 ALDH1A1 (0.38) ALDH1A1GAAKMT2AKDM4EMEN1
SCHEMBL10340646 0.66 BBOX1 (0.39) BBOX1

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-10144849-B2 Polishing composition and polishing method using the same FUJIMI INCORPORATED (JP) 2018-12-04 US disclosed
US-20100301014-A1 Polishing Composition and Polishing Method Using the Same FUJIMI INCORPORATED (JP) 2010-12-02 US disclosed
EP-2237311-A1 POLISHING COMPOSITION AND POLISHING METHOD USING THE SAME FUJIMI INCORPORATED (JP) 2010-10-06 EP disclosed