SCHEMBL162501

SCHEMBL162501

CCCC/C(C#N)=C(/C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.46
FNTB P49356 2/20 0.46
THRB P10828 1/20 0.46
PGGT1B P53609 1/20 0.46
CES1 P23141 2/20 0.45
CES2 O00748 1/20 0.39
ALDH1A1 P00352 4/20 0.37
AKR1B1 P15121 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35

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
SCHEMBL540685 0.92 FNTA (0.56) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL525227 0.79 ALDH1A1 (0.35) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL2580161 0.79 ALDH1A1 (0.35) FNTAFNTBTHRBPGGT1BALDH1A1
SCHEMBL18606215 0.78 THRB (0.40) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL1274509 0.76 CES1 (0.36) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL18606216 0.74 FNTA (0.44) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL1074445 0.74 FNTA (0.53) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL1074447 0.74 FNTA (0.53) FNTAFNTBTHRBPGGT1BCES1
SCHEMBL6440023 0.74 CES1 (0.39) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL21525695 0.74 ALDH1A1 (0.38) CES1CES2ALDH1A1AKR1B1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3090017-B1 HYDROGENATED NITRILE RUBBERS CONTAINING PHENOL ARLANXEO DEUTSCHLAND GMBH (DE) 2020-07-15 EP disclosed
EP-3387931-B1 VULCANIZABLE COMPOSITION COMPRISING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE 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
EP-2325237-A1 Stable fine-particle suspensions of functionalised, wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-25 EP disclosed
EP-2316861-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
EP-2316860-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
WO-2011032832-A1 NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2011-03-24 WO disclosed
EP-2298824-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-03-23 EP disclosed
EP-2267037-A1 Use of wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2010-12-29 EP 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