SCHEMBL15744843

SCHEMBL15744843

CCCc1ccc(-c2ccc(CCc3cc(F)c(-c4cc(F)c(C(F)(F)OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
RARG P13631 1/20 0.33
MCL1 Q07820 1/20 0.31
S1PR1 P21453 1/20 0.31
KIF11 P52732 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL15745162 0.95 RARB (0.36) RARBRARARARGMCL1S1PR1
SCHEMBL15744450 0.94 S1PR1 (0.32) S1PR1
SCHEMBL15744530 0.87 S1PR1 (0.35) S1PR1CNR1
SCHEMBL15745179 0.87 MCL1 (0.35) RARBRARARARGMCL1KIF11
SCHEMBL15744332 0.86 DAO (0.32)
SCHEMBL15744414 0.86 DAO (0.32)
SCHEMBL15745167 0.85 RARB (0.36) RARBRARARARGMCL1S1PR1
SCHEMBL15744557 0.84 RARB (0.38) RARBRARARARGMCL1S1PR1
SCHEMBL15744334 0.84 RARB (0.38) RARBRARARARGMCL1S1PR1
SCHEMBL15744588 0.84 HRH3 (0.35) RARBRARARARGKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-9365774-B2 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-06-14 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed
US-20140145113-A1 LIQUID CRYSTAL COMPOUND HAVING CF2OCF3 AT TERMINAL, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-29 US disclosed