SCHEMBL3282385

SCHEMBL3282385

CCc1ccc(O)c(N=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ GAA P10253 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ USP2 O75604 2/20 0.57
▸ ALOX12 P18054 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ POLB P06746 3/20 0.51
▸ PSMD14 O00487 1/20 0.51
▸ BACE1 P56817 1/20 0.42
▸ DAO P14920 1/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ IAPP P10997 1/20 0.37
▸ ESR1 P03372 2/20 0.36

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
SCHEMBL3278974 0.84 TRPA1 (0.57) TRPA1ALDH1A1GAAMAPTKDM4E
SCHEMBL1029877 0.82 KAT8 (0.50) ALDH1A1GAAKDM4EHTTHSD17B10
SCHEMBL28166642 0.80 KAT8 (0.56) ALDH1A1KDM4EHSD17B10ALOX15IAPP
SCHEMBL17057846 0.80 TRPA1 (0.57) TRPA1ALDH1A1GAAMAPTKDM4E
SCHEMBL12245502 0.80 ABAT (0.41) ALDH1A1GAAMAPTKDM4EUSP2
SCHEMBL23268391 0.80 GAA (0.38) TRPA1ALDH1A1GAAMAPTKDM4E
SCHEMBL18313280 0.78 MAPT (0.42) TRPA1ALDH1A1GAAMAPTKDM4E
SCHEMBL15314019 0.77 TAAR1 (0.60) ALDH1A1GAAMAPTKDM4EHSD17B10
SCHEMBL13612126 0.77 TAAR1 (0.50) TRPA1ALDH1A1MAPTKDM4EUSP2
SCHEMBL21252717 0.77 MAPT (0.42) ALDH1A1GAAMAPTKDM4EHSD17B10

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 26 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
WO-2021019005-A1 METHOD FOR THE TREATMENT A COMPOSITION COMPRISING NATURAL VANILLIN RHODIA OPERATIONS (FR) 2021-02-04 — — WO disclosed
EP-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 — — EP disclosed
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
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
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