SCHEMBL31343

SCHEMBL31343

CC1CCC(c2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.43
ESR2 Q92731 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
CHEK1 O14757 2/20 0.39
CYP11B1 P15538 6/20 0.38
CYP11B2 P19099 6/20 0.38
FASN P49327 2/20 0.38
GRM5 P41594 1/20 0.36
TRPC3 Q13507 1/20 0.35
TRPC6 Q9Y210 1/20 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
SCHEMBL14274413 1.00 KDM1A (0.43) KDM1AESR2TRPV4CHEK1CYP11B1
SCHEMBL14228793 0.95 KDM1A (0.41) KDM1AESR2TRPV4CHEK1CYP11B1
SCHEMBL11963260 0.92 TRPV4 (0.50) KDM1ATRPV4CHEK1CYP11B1CYP11B2
SCHEMBL8972905 0.92 KDM1A (0.40) KDM1AESR2TRPV4CHEK1CYP11B1
SCHEMBL8972914 0.92 KDM1A (0.40) KDM1AESR2TRPV4CHEK1CYP11B1
SCHEMBL8972902 0.92 KDM1A (0.40) KDM1AESR2TRPV4CHEK1CYP11B1
SCHEMBL8972921 0.92 KDM1A (0.40) KDM1AESR2TRPV4CHEK1CYP11B1
SCHEMBL8972910 0.92 KDM1A (0.40) KDM1AESR2TRPV4CHEK1CYP11B1
SCHEMBL14649655 0.88 CYP11B1 (0.47) KDM1AESR2CYP11B1CYP11B2
SCHEMBL6451880 0.86 KDM1A (0.40) KDM1AESR2TRPV4CHEK1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802730-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-04-19 EP disclosed
EP-3529333-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3529332-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
WO-2019233913-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-12-12 WO disclosed
WO-2019154740-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-08-15 WO disclosed
EP-3368637-B1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-08-07 EP disclosed
WO-2019110473-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-06-13 WO disclosed
WO-2019025398-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-02-07 WO disclosed
WO-2018073158-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-04-26 WO disclosed
WO-2018073159-A2 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2018-04-26 WO disclosed
US-20130208227-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2013-08-15 US disclosed
US-20130155338-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-20 US disclosed
US-8202447-B2 Method for producing liquid crystal composition DIC CORPORATION (JP) 2012-06-19 US disclosed
WO-2012052100-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-04-26 WO disclosed
WO-2012025182-A1 SWITCH ELEMENT COMPRISING A LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-03-01 WO disclosed
EP-2423294-A1 Switch element comprising a liquid-crystalline medium Merck Patent GmbH (DE) 2012-02-29 EP disclosed
US-20100012896-A1 METHOD FOR PRODUCING LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2010-01-21 US disclosed
US-7335404-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-26 US disclosed
US-7335404-B2 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-26 US disclosed
US-20070080325-A1 Liquid crystal composition for use in bistable liquid crystal devices MERCK PATENT GMBH (DE) 2007-04-12 US disclosed