SCHEMBL162823

SCHEMBL162823

C=C(C(=O)O)C(F)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.47
SRC P12931 2/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 5/20 0.41
MAPK1 P28482 1/20 0.41
CTSD P07339 1/20 0.41
KCNQ2 O43526 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL10963287 0.77 CES2 (0.48) SRCCYP2D6LMNAMAPK1KCNQ2
SCHEMBL585336 0.77 CTSD (0.54) HPGDSRCCYP2D6LMNAMAPK1
SCHEMBL9394507 0.77 SRC (0.50) SRCCYP2D6LMNAMAPK1CTSD
SCHEMBL28232476 0.77 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL28232530 0.77 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL241909 0.77 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL3877254 0.76 KEAP1 (0.43) HPGDSRCCYP2D6LMNAMAPK1
SCHEMBL1562538 0.76 HPGD (0.70) HPGDSRCCYP2D6LMNAMAPK1
SCHEMBL2971437 0.76 HPGD (0.70) HPGDSRCCYP2D6LMNAMAPK1
SCHEMBL10967434 0.76 CES2 (0.46) SRCCYP2D6LMNAMAPK1KCNQ2

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
EP-2611837-B1 METHOD FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS ARLANXEO DEUTSCHLAND GMBH (DE) 2017-03-15 EP disclosed
EP-2478021-B1 Nitrile rubbers and production of same in organic solvents LANXESS DEUTSCHLAND GMBH (DE) 2015-11-04 EP disclosed
EP-2810956-A1 Nitrile rubbers coupled with bisdihydropyrazole groups, production and use of the same LANXESS Deutschland GmbH (DE) 2014-12-10 EP disclosed
EP-2810957-A1 Nitrile rubbers coupled with bisdihydropyrazole groups, production and use of the same LANXESS Deutschland GmbH (DE) 2014-12-10 EP disclosed
EP-2798001-A1 METHOD FOR PRODUCING PURIFIED NITRILE RUBBERS LANXESS Deutschland GmbH (DE) 2014-11-05 EP disclosed
EP-2739661-A1 PROCESS FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS LANXESS Deutschland GmbH (DE) 2014-06-11 EP disclosed
EP-2623518-A1 Nitrile rubbers coupled with bistriazolyl groups, production and use of same Lanxess Deutschland GmbH (DE) 2013-08-07 EP disclosed
EP-2611843-A1 METHOD FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS Lanxess Deutschland GmbH (DE) 2013-07-10 EP disclosed
EP-2611837-A1 METHOD FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS Lanxess Deutschland GmbH (DE) 2013-07-10 EP disclosed
EP-2611836-A1 RUBBER BLENDS CONSISTING OF DIFFERENT NITRILE RUBBERS Lanxess Deutschland GmbH (DE) 2013-07-10 EP disclosed
EP-2478021-A1 NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS Lanxess Deutschland GmbH (DE) 2012-07-25 EP disclosed
WO-2012028501-A1 METHOD FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2012-03-08 WO disclosed
WO-2012028506-A1 RUBBER BLENDS CONSISTING OF DIFFERENT NITRILE RUBBERS LANXESS DEUTSCHLAND GMBH (DE) 2012-03-08 WO disclosed
WO-2012028503-A1 METHOD FOR PRODUCING NITRILE RUBBERS IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2012-03-08 WO disclosed
EP-2423235-A1 Method for producing nitrile rubbers in organic solvents LANXESS Deutschland GmbH (DE) 2012-02-29 EP disclosed
EP-2423238-A1 Method for producing nitrile rubbers in organic solvents LANXESS Deutschland GmbH (DE) 2012-02-29 EP disclosed
EP-2423234-A1 Rubber blends from different nitrile rubbers LANXESS Deutschland GmbH (DE) 2012-02-29 EP disclosed
EP-2385074-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-11-09 EP disclosed
US-8038675-B2 Apparatus for arrhythmia treatment based on spectral mapping during sinus rhythm ST. JUDE MEDICAL, ATRIAL FIBRILLATION DIVISION, INC. (US) 2011-10-18 US disclosed
WO-2011032832-A1 NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2011-03-24 WO disclosed