SCHEMBL19829159

SCHEMBL19829159

CCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OCF)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.38
S1PR1 P21453 4/20 0.37
S1PR3 Q99500 2/20 0.37
RARA P10276 2/20 0.37
RARG P13631 1/20 0.37
FFAR1 O14842 2/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GRM2 Q14416 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
MAPT P10636 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
SCHEMBL19829225 0.97 S1PR1 (0.39) RARBS1PR1S1PR3RARARARG
SCHEMBL19829157 0.97 RARB (0.41) RARBS1PR1S1PR3RARARARG
SCHEMBL12624918 0.94 RARB (0.41) RARBS1PR1S1PR3RARARARG
SCHEMBL19829206 0.94 S1PR1 (0.35) RARBS1PR1S1PR3RARARARG
SCHEMBL19829222 0.93 S1PR1 (0.34) RARBS1PR1S1PR3RARARARG
SCHEMBL19829126 0.93 RARB (0.38) RARBS1PR1S1PR3RARARARG
SCHEMBL12623928 0.91 RARB (0.40) RARBS1PR1S1PR3RARARARG
SCHEMBL18310577 0.91 S1PR1 (0.36) RARBS1PR1S1PR3RARARARG
SCHEMBL19829128 0.90 RARB (0.42) RARBRARARARGMAPT
SCHEMBL19542845 0.89 RARB (0.40) RARBS1PR1S1PR3RARARARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030351-A1 LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-02-01 US disclosed