SCHEMBL2445441

SCHEMBL2445441

FC1(F)c2ccccc2Oc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
AHR P35869 4/20 0.38
CHRM3 P20309 1/20 0.36
TRPA1 O75762 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL3289558 0.78 ALOX5 (0.48) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL14803820 0.76 PDK2 (0.38) MAOAMAOBHTR2A
SCHEMBL365492 0.75 CYP1A2 (0.36) KDM4EMAPK1ATM
SCHEMBL28357932 0.74 ALOX5 (0.44) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL11842119 0.74 ALOX5 (0.44) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL7970207 0.74 ALOX5 (0.44) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL29360424 0.74 ALOX5 (0.44) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL8984710 0.74 ALOX5 (0.44) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL21842178 0.74 ALOX5 (0.44) ALOX5MAOAMAOBAHRCHRM3
SCHEMBL1461770 0.74 ALOX5 (0.44) ALOX5MAOAMAOBAHRCHRM3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103215047-B Liquid crystal media 默克专利股份有限公司 2016-10-26 CN disclosed
CN-103382392-B Liquid crystal media MERCK PATENT GMBH (DE) 2016-01-27 CN disclosed
CN-103382392-A Liquid-crystal medium MERCK PATENT GMBH 2013-11-06 CN disclosed
CN-103215047-A Liquid-crystal medium MERCK PATENT GMBH 2013-07-24 CN disclosed
US-8025935-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2011-09-27 US disclosed
US-7803434-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-09-28 US disclosed
US-20100134751-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2010-06-03 US disclosed
EP-1935963-B1 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-02-10 EP disclosed
CN-101273110-A Liquid-crystalline medium MERCK PATENT GMBH (DE) 2008-09-24 CN disclosed
US-20080191166-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2008-08-14 US disclosed
EP-1935963-A1 Liquid-crystalline medium Merck Patent GmbH (DE) 2008-06-25 EP disclosed