SCHEMBL15744408

SCHEMBL15744408

CCCc1ccc(CCc2cc(F)c(C(F)(F)OC(F)(F)F)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.34
DAO P14920 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
PDK2 Q15119 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
CA2 P00918 1/20 0.32
GAA P10253 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL15745179 0.95 MCL1 (0.35) THRBDAONPC1RAB9ATP53
SCHEMBL15744530 0.90 S1PR1 (0.35) THRBDAOPDK2CNR1CNR2
SCHEMBL15744557 0.89 RARB (0.38) THRBNPC1RAB9ATP53PKM
SCHEMBL15744334 0.89 RARB (0.38) THRBNPC1RAB9ATP53PKM
SCHEMBL15744885 0.88 RARB (0.34) DAONPC1RAB9ATP53PKM
SCHEMBL15744316 0.88 RARB (0.39) THRBNPC1RAB9ATP53PKM
SCHEMBL15744349 0.88 RARB (0.39) THRBNPC1RAB9ATP53PKM
SCHEMBL15744374 0.88 RARB (0.39) THRBNPC1RAB9ATP53PKM
SCHEMBL15745162 0.87 RARB (0.36) THRBCNR1NPC1RAB9ATP53
SCHEMBL15744414 0.84 DAO (0.32) DAO

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-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
EP-2735599-A1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC Corporation (JP) 2014-05-28 EP disclosed