SCHEMBL3285240

SCHEMBL3285240

CC(C)c1ccc2c(c1)nnn2O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
CTNNB1 P35222 9/20 0.43
TCF7L2 Q9NQB0 1/20 0.42
HCAR3 P49019 2/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
KEAP1 Q14145 3/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TYR P14679 1/20 0.37

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
SCHEMBL5702782 0.88 POLB (0.44) PKMPOLBMAPK1ATMCTNNB1
SCHEMBL12376528 0.81 KEAP1 (0.52) POLBHCAR3HPGDKEAP1ALDH1A1
SCHEMBL14200034 0.80 HCAR3 (0.58) PKMATMHCAR3HPGDHCAR2
SCHEMBL24296719 0.80 PARP15 (0.39) PKMHCAR3HPGDHCAR2KEAP1
SCHEMBL24296700 0.80 PARP15 (0.39) PKMHCAR3HPGDHCAR2KEAP1
SCHEMBL21169561 0.77 HCAR3 (0.55) POLBHCAR3
SCHEMBL3279838 0.77 PKM (0.56) PKMPOLBMAPK1ATMCTNNB1
SCHEMBL16863946 0.75 PKM (0.58) PKMPOLBMAPK1ATMCTNNB1
SCHEMBL3676899 0.73 PKM (0.56) PKMPOLBMAPK1ATMCTNNB1
Water SCHEMBL5279559 0.73 PKM (0.56) PKMPOLBMAPK1ATMCTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US claimed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US claimed
EP-1092762-B1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems BAYER CHEMICALS AG (DE) 2004-12-08 EP claimed
US-6380142-B1 FOR USE IN ENZYMATIC TWO-COMPONENT BLEACHING SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US claimed
EP-1092762-A1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems Bayer Aktiengesellschaft (DE) 2001-04-18 EP claimed
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 US disclosed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 US disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
CN-100528937-C Method for producing carbonyl rest-containing organosilicon compounds WACKER CHEMIE GMBH (DE) 2009-08-19 CN 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
CN-1906230-A Method for producing carbonyl group-containing organosilicon compound WACKER CHEMIE GMBH (DE) 2007-01-31 CN disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP disclosed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP disclosed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO disclosed
CN-1142255-A Multicomponent system for modifying decomposing or bleaching lignin, lignin-containing materials or similar substances and method of using this system LIGNOZYM GMBH (DE) 1997-02-05 CN disclosed
EP-0745154-A1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM Lignozym GmbH (DE) 1996-12-04 EP disclosed
WO-1996018770-A2 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1996-06-20 WO disclosed
EP-0717143-A1 Multicomponents system for modifying decomposing or bleaching of lignin or materials containing it or similar components and the way to use it Lignozym GmbH (DE) 1996-06-19 EP disclosed