SCHEMBL15744320

SCHEMBL15744320

CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)Br)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
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
GRM2 Q14416 1/20 0.33
MCL1 Q07820 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
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
SCHEMBL17788077 0.93 S1PR1 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL12625465 0.92 S1PR1 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL30106832 0.92 S1PR1 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL2395062 0.92 S1PR1 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL502980 0.92 S1PR1 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL15744312 0.92 RARB (0.34) RARBRARARARGMCL1KIF11
SCHEMBL15744321 0.91 GRM2 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL12625441 0.91 S1PR1 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL15868562 0.91 S1PR1 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL15745124 0.91 GRM2 (0.35) S1PR1S1PR3RARBRARARARG

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
EP-2735599-B1 Liquid crystal compound having CF2OCF3 at terminal, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2015-04-29 EP 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