SCHEMBL8049166

SCHEMBL8049166

CCCc1ccc(-c2ccc(C3CCC(CCC)CC3)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.41
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
RARB P10826 1/20 0.39
FASN P49327 1/20 0.38
APP P05067 2/20 0.37
SPHK1 Q9NYA1 5/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ESR2 Q92731 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL10612469 1.00 CYP2C9 (0.41) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL9662846 0.99 CYP2C9 (0.40) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL9662853 0.99 CYP2C9 (0.40) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL10815527 0.95 CYP2C9 (0.41) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL10790194 0.95 CYP2C9 (0.41) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL16104420 0.93 CYP2C9 (0.42) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL16104456 0.93 CYP2C9 (0.42) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL20202982 0.93 CYP2C9 (0.40) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8990677 0.93 CYP2C9 (0.40) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL9664373 0.93 CYP2C9 (0.40) CYP2C9CYP3A4ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 EP disclosed
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed
EP-0281611-A1 LIQUID CRYSTAL PHASES FOR ELECTRO-OPTIC DISPLAY ELEMENTS BASED ON THE ECB EFFECT. MERCK PATENT GMBH (DE) 1988-09-14 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-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