SCHEMBL15744304

SCHEMBL15744304

CCCc1ccc(-c2cc(F)c(C(F)(F)OC(F)(F)F)c(F)c2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.37
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
RARB P10826 1/20 0.34
ALOX5 P09917 2/20 0.32
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
PTGS2 P35354 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM2 Q14416 1/20 0.31
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 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
SCHEMBL15744475 0.92 RARB (0.38) PDK2RARBALOX5NPC1TP53
SCHEMBL15744315 0.92 RARB (0.38) PDK2RARBALOX5NPC1TP53
SCHEMBL15744348 0.91 RARB (0.41) PDK2RARBPTGS2S1PR1S1PR3
SCHEMBL15744392 0.89 GRM2 (0.32) PDK2GRM2S1PR1S1PR3
SCHEMBL15744845 0.89 PDK2 (0.31) PDK2
SCHEMBL15745067 0.89 GRM2 (0.32) PDK2GRM2S1PR1S1PR3
SCHEMBL15745167 0.87 RARB (0.36) PDK2RARBNPC1TP53PKM
SCHEMBL15744502 0.86 ESR1 (0.32) PDK2RARBAKR1C3AKR1C2GRM2
SCHEMBL13002328 0.85 PDK2 (0.40) PDK2CNR1CNR2RARBALOX5
SCHEMBL15744321 0.85 GRM2 (0.35) PDK2RARBGRM2S1PR1S1PR3

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