Acetic Acid

Acetic Acid

SCHEMBL2860533

C=CCNCC(C)N.CC(=O)O.CC(=O)O.NCCCN

nearest known ligand 0.37

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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 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PAOX Q6QHF9 3/20 0.31
GSR P00390 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 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 SCHEMBL7184944 0.92 KDM4E (0.35) KDM4EPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL723919 0.80
SCHEMBL19604899 0.80
Hydrochloric Acid SCHEMBL10494674 0.78
Hydrochloric Acid SCHEMBL10494657 0.78 ACHE (0.32) ALDH1A1TSHR
Acetic Acid SCHEMBL19991790 0.78 PAOX (0.47) KDM4EALDH1A1PAOXTSHRMAPT
Acetic Acid SCHEMBL27888297 0.77 ALDH1A1 (0.38) KDM4EPOLBALDH1A1PAOXTSHR
Acetic Acid SCHEMBL7917433 0.77 ALDH1A1 (0.38) KDM4EPOLBALDH1A1PAOXTSHR
Acetic Acid SCHEMBL3421514 0.77 ANPEP (0.47) KDM4EALDH1A1PAOXGSR
Acetic Acid SCHEMBL27984383 0.75 ALDH1A1 (0.40) KDM4EPOLBALDH1A1PAOXTSHR

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
EP-2207416-B1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM IMERYS FILTRATION MINERALS INC (US) 2018-11-07 EP disclosed
US-20100239679-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2010-09-23 US disclosed
EP-2207416-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM World Minerals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045941-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2009-04-09 WO disclosed