Acetic Acid

Acetic Acid

SCHEMBL2304560

CC(=O)O.N=C(N)NCCC[C@H](NO)C(=O)O

nearest known ligand 0.39

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 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
C3AR1 Q16581 1/20 0.38
NOD1 Q9Y239 2/20 0.36
NPY4R P50391 8/20 0.36
NPY5R Q15761 7/20 0.36
NPY1R P25929 6/20 0.36
NPY2R P49146 4/20 0.36
OTC P00480 1/20 0.36
ALOX15 P16050 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
ALB P02768 2/20 0.34

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
SCHEMBL117141 0.95 C3AR1 (0.40) FOLH1ITGB3ITGA2BC3AR1NOD1
SCHEMBL466294 0.95 C3AR1 (0.40) FOLH1ITGB3ITGA2BC3AR1NOD1
SCHEMBL8164682 0.95 C3AR1 (0.40) FOLH1ITGB3ITGA2BC3AR1NOD1
SCHEMBL27532875 0.90 FOLH1 (0.41) FOLH1ITGB3ITGA2BC3AR1NOD1
SCHEMBL564120 0.90 FOLH1 (0.41) FOLH1ITGB3ITGA2BC3AR1NOD1
Acetic Acid SCHEMBL1551710 0.87 FOLH1 (0.39) FOLH1ITGB3ITGA2BC3AR1NOD1
Acetic Acid SCHEMBL160844 0.87 FOLH1 (0.39) FOLH1ITGB3ITGA2BC3AR1NOD1
Acetic Acid SCHEMBL2170653 0.87 FOLH1 (0.39) FOLH1ITGB3ITGA2BC3AR1NOD1
SCHEMBL16260521 0.87 NPY4R (0.38) NPY4RNPY5RNPY1RNPY2RALOX15
Acetic Acid SCHEMBL28406175 0.86 FOLH1 (0.48) FOLH1C3AR1NOD1NPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016065423-A1 METHOD AND COMPOSITIONS FOR PREVENTING BACTERIAL CORROSION OF A SUBSTRATE IXOM OPERATIONS PTY LTD (AU) 2016-05-06 WO claimed
US-20150335663-A1 Pharmaceutical Composition Having Synergistic Action Of Direct Catalase Inhibitors And Modulators Of NO Metabolism Or Of Extracellular Superoxide Anion Production Which Lead To Catalase Destruction UNIVERSITAETSKLINIKUM FREIBURG (DE) 2015-11-26 US claimed
EP-2863907-A1 PHARMACEUTICAL COMPOSITION HAVING SYNERGISTIC ACTION OF DIRECT CATALASE INHIBITORS AND MODULATORS OF NO METABOLISM OR OF EXTRACELLULAR SUPEROXIDE ANION PRODUCTION WHICH LEAD TO CATALASE DESTRUCTION Universitätsklinikum Freiburg (DE) 2015-04-29 EP claimed
WO-2014001183-A1 PHARMACEUTICAL COMPOSITION HAVING SYNERGISTIC ACTION OF DIRECT CATALASE INHIBITORS AND MODULATORS OF NO METABOLISM OR OF EXTRACELLULAR SUPEROXIDE ANION PRODUCTION WHICH LEAD TO CATALASE DESTRUCTION Universitätsklinikum Freiburg (DE) 2014-01-03 WO claimed
US-20050233944-A1 Arginine compositions for coordinate modification of multiple cardiovascular risk factors BABISH JOHN G 2005-10-20 US claimed
US-20030054978-A1 Arginine compositions for coordinate modification of multiple cardiovascular risk factors METAPROTEOMICS, LLC 2003-03-20 US claimed
WO-2003020260-A1 ARGININE COMPOSITIONS FOR COORDINATE MODIFICATION OF MULTIPLE CARDIOVASCULAR RISK FACTORS METAPROTEOMICS, LLC (US) 2003-03-13 WO claimed
CN-112481337-B High mannose glycoform content of regulatory ornithine metabolism to manipulate recombinant proteins 美国安进公司 2024-06-25 CN disclosed
CN-112481337-A Modulation of ornithine metabolism to manipulate high mannose glycoform content of recombinant proteins 美国安进公司 2021-03-12 CN disclosed
CN-106029896-B Modulation of ornithine metabolism to manipulate high mannose glycoform content of recombinant proteins 美国安进公司 2020-10-27 CN disclosed
CN-105073757-B Dyeing process using a hair-dyeing precursor obtained from an iridoid, composition, precursor and device comprising such a precursor 莱雅公司 2019-12-17 CN disclosed
US-9801832-B2 Pharmaceutical composition having synergistic action of direct catalase inhibitors and modulators of no metabolism or of extracellular superoxide anion production which lead to catalase destruction UNIVERSITAETSKLINIKUM FREIBURG (DE) 2017-10-31 US disclosed
EP-2351828-B1 Methods and compositions for regulating biofilm development NEWSOUTH INNOVATIONS PTY LTD (AU) 2017-10-18 EP disclosed
CN-101213292-A Methods and compositions for modulating biofilm growth ENVIRONMENTAL BIOTECHNOLOGY CR (AU) 2008-07-02 CN disclosed
EP-1899451-A1 METHODS AND COMPOSITIONS FOR REGULATING BIOFILM DEVELOPMENT Environmental Biotechnology CRC Pty Limited (AU) 2008-03-19 EP disclosed
WO-2006125262-A1 METHODS AND COMPOSITIONS FOR REGULATING BIOFILM DEVELOPMENT ENVIRONMENTAL BIOTECHNOLOGY CRC PTY LIMITED (AU) 2006-11-30 WO disclosed
US-7128930-B1 Compositions and methods for treating sexual dysfunction Sacks, Meir S. (US) 2006-10-31 US disclosed
EP-1317309-B1 COMPOSITIONS FOR TREATING SEXUAL DYSFUNCTION, CONTAINING AN NO-DONOR AND AN ANTIOXIDANT SACKS MEIR S (US) 2005-07-20 EP disclosed
EP-1317309-A2 COMPOSITIONS FOR TREATING SEXUAL DYSFUNCTION, CONTAINING AN NO-DONOR AND AN ANTIOXIDANT Sacks, Meir S. (US) 2003-06-11 EP disclosed
WO-2002019999-A2 COMPOSITIONS FOR TREATING SEXUAL DYSFUNCTION, CONTAINING AN NO-DONOR AND AN ANTIOXIDANT SACKS MEIR S (US) 2002-03-14 WO disclosed