SCHEMBL9775767

SCHEMBL9775767

CCCCCc1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.48
RARB P10826 1/20 0.47
SPHK2 Q9NRA0 7/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
FFAR4 Q5NUL3 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL9775763 1.00 SPHK1 (0.48) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10946817 0.97 SPHK1 (0.47) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10946823 0.97 SPHK1 (0.47) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10943958 0.95 SPHK1 (0.42) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10943945 0.95 SPHK1 (0.42) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10947793 0.94 SPHK1 (0.50) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10947782 0.94 SPHK1 (0.50) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10947235 0.94 SPHK1 (0.43) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10947243 0.94 SPHK1 (0.43) SPHK1RARBSPHK2CYP3A4CYP2C9
SCHEMBL10945641 0.93 RARB (0.50) SPHK1RARBSPHK2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047170-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1991-09-10 US disclosed
US-4808333-A Anisotropic compounds having nematic phase and liquid crystal mixtures MERCK PATENT GMBH (DE) 1989-02-28 US 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-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