SCHEMBL15745124

SCHEMBL15745124

CCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)c(F)c4)c(F)c3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
RARB P10826 3/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MCL1 Q07820 1/20 0.32
KIF11 P52732 1/20 0.31
PDK2 Q15119 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
SCHEMBL15744321 1.00 GRM2 (0.35) GRM2S1PR1S1PR3RARBRARA
SCHEMBL15745047 0.94 GRM2 (0.39) GRM2S1PR1S1PR3RARBRARA
SCHEMBL16683664 0.93 S1PR1 (0.34) GRM2S1PR1S1PR3RARBRARA
SCHEMBL15744315 0.93 RARB (0.38) GRM2S1PR1S1PR3RARBRARA
SCHEMBL15744475 0.93 RARB (0.38) GRM2S1PR1S1PR3RARBRARA
SCHEMBL15744808 0.92 GRM2 (0.34) GRM2S1PR1S1PR3RARBALOX5AP
SCHEMBL30106832 0.92 S1PR1 (0.35) GRM2S1PR1S1PR3RARBRARA
SCHEMBL12625465 0.92 S1PR1 (0.35) GRM2S1PR1S1PR3RARBRARA
SCHEMBL2395062 0.92 S1PR1 (0.35) GRM2S1PR1S1PR3RARBRARA
SCHEMBL502980 0.92 S1PR1 (0.35) GRM2S1PR1S1PR3RARBRARA

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