Acetic Acid

Acetic Acid

SCHEMBL692128

CC(=O)O.CCCCN(CCCC)CCCC

nearest known ligand 0.52

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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 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 1/20 0.40
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
KDM5A P29375 4/20 0.52
PHF8 Q9UPP1 2/20 0.48
KDM4C Q9H3R0 2/20 0.48
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
AKR1B1 P15121 1/20 0.42
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41

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 SCHEMBL27778890 1.00 CA12 (0.52) CA12CA1CA9KDM5APHF8
Bicarbonate SCHEMBL5874857 0.92 CA12 (0.54) CA12CA1CA9KDM5APHF8
Acetone SCHEMBL27904025 0.92 CA12 (0.54) CA12CA1CA9KDM5APHF8
Bicarbonate SCHEMBL5874864 0.92 CA12 (0.54) CA12CA1CA9KDM5APHF8
Acetic Acid SCHEMBL1131176 0.91 KDM5A (0.46) CA12CA1CA9KDM5APHF8
Acetic Acid SCHEMBL8679146 0.91 KDM5A (0.46) CA12CA1CA9KDM5APHF8
Acetic Acid SCHEMBL8070388 0.90 KDM5A (0.55) KDM5APHF8KDM4CAKR1B1ICMT
Acetic Acid SCHEMBL3413816 0.90 KDM5A (0.55) KDM5APHF8KDM4CAKR1B1ICMT
Oxalic Acid SCHEMBL5874878 0.89 CA12 (0.52) CA12CA1CA9KDM5APHF8
Oxalic Acid SCHEMBL5844731 0.89 CA12 (0.52) CA12CA1CA9KDM5APHF8

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 447 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3359680-B1 METHODS FOR DETECTING OR QUANTIFYING CTP AND CTP SYNTHASE ACTIVITY HOPITAUX PARIS ASSIST PUBLIQUE (FR) 2020-10-07 EP claimed
US-10731197-B2 Methods for detecting or quantifying CTP and CTP synthase activity ASSITANCE PUBLIQUE-HOPITAUX DE PARIS (FR) 2020-08-04 US claimed
US-20180298420-A1 Methods For Detecting Or Quantifying CTP And CTP Synthase Activity ASSISTANCE PUBLIQUE-HOPITAUX DE PARIS (FR) 2018-10-18 US claimed
WO-2017060534-A1 METHODS FOR DETECTING OR QUANTIFYING CTP AND CTP SYNTHASE ACTIVITY ASSISTANCE PUBLIQUE - HOPITAUX DE PARIS (FR) 2017-04-13 WO claimed
US-20120112127-A1 RECOVERY OF ORGANIC ACIDS ZEACHEM, INC. (US) 2012-05-10 US claimed
US-8048655-B2 Recovery of organic acids ZEACHEM, INC. (US) 2011-11-01 US claimed
US-20100187472-A1 RECOVERY OF ORGANIC ACIDS ZEACHEM, INC. (US) 2010-07-29 US claimed
US-7138518-B1 Liquid chromatographic separation of polynucleotides TRANSGENOMIC, INC. (US) 2006-11-21 US claimed
US-20040034211-A1 Mutation detection method TRANSGENOMIC, INC. 2004-02-19 US claimed
US-20030144500-A1 Mutation detection method TRANSGENOMIC, INC. (US) 2003-07-31 US claimed
WO-2001066216-A1 METHOD AND SYSTEM FOR RNA ANALYSIS BY MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 2001-09-13 WO claimed
WO-2001002418-A1 METHOD AND SYSTEM FOR RNA ANALYSIS BY MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 2001-01-11 WO claimed
EP-1056528-A1 METHOD FOR HIGH RESOLUTION LIQUID CHROMATOGRAPHIC SEPARATION OF POLYNUCLEOTIDES TRANSGENOMIC, Inc. (US) 2000-12-06 EP claimed
EP-0915858-B1 INTERMEDIATES FOR THE PREPARATION OF 2-IMIDAZOLINE-5-ONES AVENTIS CROPSCIENCE SA (FR) 2000-09-13 EP claimed
EP-1002137-A1 DENATURING MULTI ION POLYNUCLEOTIDE CHROMATOGRAPHY FOR DETECTING MUTATIONS TRANSGENOMIC, Inc. (US) 2000-05-24 EP claimed
US-6066258-A MATCHED ION POLYNUCLEOTIDE CHROMATOGRAPHY. TRANSGENOMIC, INC. (US) 2000-05-23 US claimed
US-6056877-A APPLYING MIXTURE TO NONPOROUS BEADS WITH HYDROCARBON COATING; CHROMATOGRAPHY TRANSGENOMIC, INC. (US) 2000-05-02 US claimed
US-6024878-A CHROMATOGRAPHIC METHOD FOR SEPARATING A MIXTURE OF HETERODUPLEX AND HOMODUPLEX DNA MOLECULES UNDER CONDITIONS WHICH SELECTIVELY DENATURE A MUTATION SITE PRESENT IN THE HETERODUPLEX DNA MOLECULE TRANSGENOMIC, INC. (US) 2000-02-15 US claimed
WO-1999022839-A1 METHOD FOR HIGH RESOLUTION LIQUID CHROMATOGRAPHIC SEPARATION OF POLYNUCLEOTIDES TRANSGENOMIC, INC. (US) 1999-05-14 WO claimed
WO-1999007899-A1 DENATURING MULTI ION POLYNUCLEOTIDE CHROMATOGRAPHY FOR DETECTING MUTATIONS TRANSGENOMIC, INC. (US) 1999-02-18 WO claimed