SCHEMBL162502

SCHEMBL162502

C=C(CCCCCC#N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TET2 Q6N021 3/20 0.34
TET3 O43151 1/20 0.34
TET1 Q8NFU7 1/20 0.34
PTPN7 P35236 3/20 0.34
HMGCR P04035 3/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM2 Q14416 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL4423832 1.00 TBXAS1 (0.40) TBXAS1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL3109004 1.00 TBXAS1 (0.40) TBXAS1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL4434326 1.00 TBXAS1 (0.40) TBXAS1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL3114531 1.00 TBXAS1 (0.40) TBXAS1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL1142166 0.98 TBXAS1 (0.38) TBXAS1CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL234426 0.91 TET2 (0.37) TBXAS1HSD17B10TET2TET3TET1
SCHEMBL110534 0.82
SCHEMBL3379823 0.82 TBXAS1 (0.35) TBXAS1
SCHEMBL11122641 0.82 TBXAS1 (0.50) TBXAS1MAPTHSD17B10TET2TET3
SCHEMBL11125055 0.82 TBXAS1 (0.50) TBXAS1MAPTHSD17B10TET2TET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3387931-B1 VULCANIZABLE COMPOSITION COMPRISING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2020-07-15 EP disclosed
EP-3090017-B1 HYDROGENATED NITRILE RUBBERS CONTAINING PHENOL ARLANXEO DEUTSCHLAND GMBH (DE) 2020-07-15 EP disclosed
EP-3090001-B1 HYDROGENATED NITRILE RUBBER CONTAINING PHOSPHINE OR DIPHOSPHANE SULFIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2019-10-09 EP disclosed
EP-3090002-B1 HYDROGENATED NITRILE RUBBER CONTAINING PHOSPHINE OR DIPHOSPHANE OXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2019-10-02 EP disclosed
EP-3090000-B1 HYDROGENATED NITRILE RUBBER CONTAINING PHOSPHINE OR DIPHOSPHANE OXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2019-10-02 EP disclosed
WO-2018188966-A1 VULCANIZABLE COMPOSITION CONTAINING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2018-10-18 WO disclosed
EP-3387931-A1 VULCANIZABLE COMPOSITION COMPRISING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO Deutschland GmbH (DE) 2018-10-17 EP disclosed
EP-2658908-B1 VULCANISABLE COMPOUNDS BASED ON NITRILE RUBBERS CONTAINING EPOXY GROUPS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-09-19 EP disclosed
EP-2766418-B1 VULCANISABLE COMPOUNDS ON THE BASIS OF NITRILE RUBBERS CONTAINING EPOXY GROUPS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-03-07 EP disclosed
EP-3233929-A1 COLOR-STABLE NITRILE RUBBERS ARLANXEO Deutschland GmbH (DE) 2017-10-25 EP disclosed
US-20110018400-A1 DIELECTRIC MATERIAL FOR POLYMERIC ACTUATOR, AND POLYMERIC ACTUATOR USING THE SAME KURARAY CO., LTD. (JP) 2011-01-27 US disclosed
EP-2267037-A1 Use of wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2010-12-29 EP disclosed
US-20100273014-A1 METAL-CLAD SUBSTRATE, AND METHOD FOR PRODUCTION THEREOF FUJIFILM CORPORATION (JP) 2010-10-28 US disclosed
US-20100272902-A1 PLATING METHOD, METHOD FOR FORMING METAL THIN FILM, AND PLATING CATALYST LIQUID FUJIFILM CORPORATION (JP) 2010-10-28 US disclosed
US-20100003533-A1 METAL-FILM-COATED MATERIAL AND PROCESS FOR PRODUCING THE SAME, METALLIC-PATTERN-BEARING MATERIAL AND PROCESS FOR PRODUCING THE SAME, COMPOSITION FOR POLYMER LAYER FORMATION, NITRILE GROUP-CONTAINING POLYMER AND METHOD OF SYNTHESIZING THE SAME, COMPOSITION CONTAINING NITRILE GROUP-CONTAINING POLYMER, AND LAMINATE FUJIFILM CORPORATION (JP) 2010-01-07 US disclosed
US-20090155553-A1 Method of manufacturing surface metal film material, surface metal film material, method of manufacturing patterned metal material, patterned metal material, and polymer layer-forming composition FUJIFILM CORPORATION (JP) 2009-06-18 US disclosed
US-20060281865-A1 Polymer alloy, crosslinked object, and fuel hose ZEON CORPORATION (JP) 2006-12-14 US disclosed
EP-1640413-A2 POLYMER ALLOY, CROSSLINKED OBJECT, AND FUEL HOSE ZEON CORPORATION (JP) 2006-03-29 EP disclosed
US-6800384-B2 MULTILAYER THERMOPLASTIC RESINS OKAMOTO INDUSTRIES, INC. (JP) 2004-10-05 US disclosed
US-20030190438-A1 Multilayer thermoplastic resins OKAMOTO INDUSTRIES, INC. (JP) 2003-10-09 US disclosed