SCHEMBL8407315

SCHEMBL8407315

CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC)cc3F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 2/20 0.41
SPHK1 Q9NYA1 13/20 0.40
RARB P10826 1/20 0.40
APP P05067 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
SPHK2 Q9NRA0 7/20 0.36

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
SCHEMBL8407319 1.00 CYP2C9 (0.41) CYP2C9CYP3A4SPHK1RARBAPP
SCHEMBL2604712 0.93 CYP2C9 (0.39) CYP2C9CYP3A4SPHK1RARBAPP
SCHEMBL16258050 0.93 CYP2C9 (0.39) CYP2C9CYP3A4SPHK1RARBAPP
SCHEMBL16117388 0.93 CYP2C9 (0.39) CYP2C9CYP3A4SPHK1RARBAPP
SCHEMBL7907282 0.93 RARB (0.40) CYP2C9CYP3A4SPHK1RARBAPP
SCHEMBL7907275 0.93 RARB (0.40) CYP2C9CYP3A4SPHK1RARBAPP
SCHEMBL16117390 0.92 CYP2C9 (0.39) CYP2C9CYP3A4SPHK1RARBAPP
SCHEMBL10943958 0.92 SPHK1 (0.42) CYP2C9CYP3A4SPHK1RARBAPP
SCHEMBL9775767 0.92 SPHK1 (0.48) CYP2C9CYP3A4SPHK1RARBAPP
SCHEMBL9775763 0.92 SPHK1 (0.48) CYP2C9CYP3A4SPHK1RARBAPP

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
EP-0438547-B2 SUPER-TWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-07-07 EP disclosed
EP-0481293-B1 Supertwist liquid crystal display MERCK PATENT GMBH (DE) 1996-06-05 EP disclosed
EP-0481293-A2 Supertwist liquid crystal display MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0117631-B1 DISUBSTITUTED ETHANES AND THEIR USE IN LIQUID CRYSTAL MATERIALS AND DEVICES The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1987-04-29 EP disclosed
US-4545922-A Liquid crystalline fluorine-containing cyclohexylbiphenyls and dielectrics and electro-optical display elements based thereon MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-10-08 US disclosed
EP-0074608-B1 LIQUID CRYSTAL HALOGEN COMPOUNDS, PROCESS FOR THEIR PREPARATION, DIELECTRIC AND DECTROOPTICAL DISPLAY ELEMENT CONTAINING THEM MERCK PATENT GmbH (DE) 1985-07-03 EP disclosed
US-4490305-A Liquid-crystalline halogen compounds, process for their preparation, dielectrics containing these, and electro-optical display element MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0051738-B1 CYCLOHEXYL-BIPHENYL DERIVATIVES THAT CONTAIN FLUOR, DIELECTRICS CONTAINING THEM AND ELECTRO-OPTICAL INDICATING ELEMENT MERCK PATENT GmbH (DE) 1984-07-25 EP disclosed
US-4415470-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-11-15 US disclosed
EP-0074608-A2 Liquid crystal halogen compounds, process for their preparation, dielectric and dectrooptical display element containing them MERCK PATENT GmbH (DE) 1983-03-23 EP disclosed
EP-0051738-A1 Cyclohexyl-biphenyl derivatives that contain fluor, dielectrics containing them and electro-optical indicating element MERCK PATENT GmbH (DE) 1982-05-19 EP disclosed