SCHEMBL15744348

SCHEMBL15744348

CCCCc1ccc(CCc2ccc(-c3cc(F)c(C(F)(F)OC(F)(F)F)c(F)c3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
S1PR1 P21453 4/20 0.34
S1PR3 Q99500 3/20 0.34
SKP2 Q13309 1/20 0.32
PDK2 Q15119 1/20 0.32
FAAH O00519 2/20 0.32
PTGS2 P35354 1/20 0.31
MPL P40238 2/20 0.31
HTR2A P28223 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
SCHEMBL15744304 0.91 PDK2 (0.37) RARBS1PR1S1PR3PDK2PTGS2
SCHEMBL15744475 0.86 RARB (0.38) RARBRARARARGS1PR1S1PR3
SCHEMBL15744315 0.86 RARB (0.38) RARBRARARARGS1PR1S1PR3
SCHEMBL13002280 0.83 RARB (0.44) RARBRARARARGS1PR1S1PR3
SCHEMBL15744845 0.83 PDK2 (0.31) PDK2
SCHEMBL15745167 0.82 RARB (0.36) RARBRARARARGS1PR1S1PR3
SCHEMBL17407514 0.82 RARB (0.43) RARBRARARARGS1PR1S1PR3
SCHEMBL15744408 0.81 THRB (0.34) S1PR1S1PR3PDK2PTGS2
SCHEMBL15745206 0.81
SCHEMBL12199017 0.81 RARB (0.37) RARBRARARARGS1PR1S1PR3

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