SCHEMBL8159591

SCHEMBL8159591

CCCCCCC[C@H]1CC[C@H](c2ccc(CCc3ccc(Cl)cc3F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.45
SPHK2 Q9NRA0 7/20 0.41
OPRL1 P41146 3/20 0.37

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
SCHEMBL8159596 1.00 SPHK1 (0.45) SPHK1SPHK2OPRL1
SCHEMBL8160865 0.99 SPHK1 (0.43) SPHK1SPHK2OPRL1
SCHEMBL8160862 0.99 SPHK1 (0.43) SPHK1SPHK2OPRL1
SCHEMBL8451140 0.89 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL8451143 0.89 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL8448415 0.89 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL8448413 0.89 SPHK1 (0.48) SPHK1SPHK2
SCHEMBL9260205 0.88 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL9260196 0.88 SPHK1 (0.45) SPHK1SPHK2
SCHEMBL8455941 0.87 SPHK1 (0.46) SPHK1SPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36849-E 2-(4-(ALK(EN)YL, ALKOXY, ALKANOYL)-4'-BICYCLOHEXYL)-1-(2,3-(HALO OR NITRILE),4-HALOPHENYL)ETHANE COMPOUNDS; ELECTROOPTICAL DISPLAY WITH MULTIPLEX OPERATION COMPRISING A LIQUID CRYSTAL MIXTURE AS DIELECTRIC MERCK PATENT GMBH (DE) 2000-09-05 US claimed
US-RE36849-E 2-(4-(ALK(EN)YL, ALKOXY, ALKANOYL)-4'-BICYCLOHEXYL)-1-(2,3-(HALO OR NITRILE),4-HALOPHENYL)ETHANE COMPOUNDS; ELECTROOPTICAL DISPLAY WITH MULTIPLEX OPERATION COMPRISING A LIQUID CRYSTAL MIXTURE AS DIELECTRIC MERCK PATENT GMBH (DE) 2000-09-05 US disclosed
US-4710315-A USE WITH MULTIPLEXIBLE DISPLAYS HAVING HIGH DENSITY IMAGES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-12-01 US disclosed