SCHEMBL8933266

SCHEMBL8933266

CCCCCCCCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCCCCCC)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.39
SPHK1 Q9NYA1 12/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
FASN P49327 1/20 0.34
CYP2C8 P10632 1/20 0.33
S1PR3 Q99500 1/20 0.33
SPHK2 Q9NRA0 6/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL8933320 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA
SCHEMBL8933037 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA
SCHEMBL8933255 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA
SCHEMBL8933176 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA
SCHEMBL8933172 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA
SCHEMBL8933120 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA
SCHEMBL8933277 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA
SCHEMBL8933021 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA
SCHEMBL8932971 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA
SCHEMBL8933020 1.00 RARB (0.39) RARBSPHK1CYP3A4CYP2C9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed