SCHEMBL3285296

SCHEMBL3285296

CC(C)c1ccc(O)c(N=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 1/20 0.53
GAA P10253 3/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
HIF1A Q16665 2/20 0.52
TDP1 Q9NUW8 6/20 0.51
MAPT P10636 5/20 0.51
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TYR P14679 3/20 0.48
TRPA1 O75762 1/20 0.48
PTGS1 P23219 1/20 0.48
CACNA1C Q13936 1/20 0.48
KDM4E B2RXH2 4/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
MDM4 O15151 1/20 0.44
CA1 P00915 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
SCHEMBL1029875 0.82 GAA (0.57) GAAALDH1A1HTTHIF1ATDP1
SCHEMBL17118293 0.78 LMNA (0.40) RNASEH1GAAALDH1A1ALOX12HTT
SCHEMBL16918736 0.76 TYR (0.42) RNASEH1GAAALDH1A1ALOX12HTT
SCHEMBL12062905 0.76 TDP1 (0.45) TDP1MAPTMAPK1L3MBTL1CA1
SCHEMBL13074413 0.74 MAPT (0.41) GAAALDH1A1ALOX12HIF1ATDP1
SCHEMBL29362968 0.73 TRPA1 (0.67) RNASEH1GAAALDH1A1ALOX12HTT
SCHEMBL172232 0.73 TRPA1 (0.67) RNASEH1GAAALDH1A1ALOX12HTT
SCHEMBL1031711 0.72 MAPT (0.58) GAAALDH1A1ALOX12HTTTDP1
SCHEMBL5866565 0.72 NEU3 (0.42) GAAALDH1A1HTTMAPTKDM4E
SCHEMBL28204581 0.72 TYR (0.43) RNASEH1GAAALDH1A1ALOX12HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998005818-A1 MULTI-COMPONENT SYSTEM FOR MODIFYING, DECOMPOSING, OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND PROCESS FOR ITS APPLICATION Consortium für elektrochemische Industrie GmbH (DE) 1998-02-12 WO claimed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 EP disclosed
US-20070129520-A1 High yield of 2-formylethyldimethylsilanol-modified polydimethylsiloxane obtained by the continuous process of oxidizing 3-hydroxypropyldimethylsilanol-modified corresponding polymer using Tempoas an oxidation catalyst and air or oxygen as oxidizer in an aqueous dispersion; industrial scale; low cost WACKER CHEMIE AG (DE) 2007-06-07 US disclosed
US-20060217281-A1 Oxidation system containing a macrocyclic metal complex, the production thereof and its use LANXESS B.V. (NL) 2006-09-28 US disclosed
EP-1685183-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS Wacker Chemie AG (DE) 2006-08-02 EP disclosed
CN-1761787-A Oxidation system comprising macrocyclic metal complexes, method for the production and use thereof LANXESS B V (NL) 2006-04-19 CN disclosed
EP-1606447-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE Lanxess B.V. (NL) 2005-12-21 EP disclosed
WO-2005049697-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2005-06-02 WO disclosed
WO-2004083516-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE LANXESS B.V. (NL) 2004-09-30 WO disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
EP-0913382-B1 Process for the preparation of aldehydes and ketones CONSORTIUM ELEKTROCHEM IND (DE) 2000-11-08 EP disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed
EP-0913382-A1 Process for the preparation of aldehydes and ketones Consortium für elektrochemische Industrie GmbH (DE) 1999-05-06 EP disclosed
EP-0905306-A1 Multicomponent system for modifying, decomposing or bleaching lignin or lignin-containing materials and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1999-03-31 EP disclosed
CN-1205366-A System for electrochemical delignification of lignincontaining materials and process for its application CONSORTIUM FURE ELEKTROCHEMISC (DE) 1999-01-20 CN disclosed
EP-0885868-A1 Oxidation-process for the production of aldehydes and ketones in the presence of nitrogen-containing compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-23 EP disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed
WO-1998005818-A1 MULTI-COMPONENT SYSTEM FOR MODIFYING, DECOMPOSING, OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND PROCESS FOR ITS APPLICATION Consortium für elektrochemische Industrie GmbH (DE) 1998-02-12 WO disclosed