SCHEMBL19829225

SCHEMBL19829225

CCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(-c5cc(F)c(OCF)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.39
S1PR3 Q99500 3/20 0.39
RARB P10826 5/20 0.37
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL12624918 0.97 RARB (0.41) S1PR1S1PR3RARBRARARARG
SCHEMBL19829159 0.97 RARB (0.38) S1PR1S1PR3RARBRARARARG
SCHEMBL12623928 0.94 RARB (0.40) S1PR1S1PR3RARBRARARARG
SCHEMBL19829157 0.94 RARB (0.41) S1PR1S1PR3RARBRARARARG
SCHEMBL18310577 0.94 S1PR1 (0.36) S1PR1S1PR3RARBRARARARG
SCHEMBL19829173 0.92 S1PR1 (0.36) S1PR1S1PR3RARBFFAR1FFAR4
SCHEMBL19829206 0.91 S1PR1 (0.35) S1PR1S1PR3RARBRARARARG
SCHEMBL19829234 0.90 S1PR1 (0.34) S1PR1S1PR3RARBRARARARG
SCHEMBL19829222 0.90 S1PR1 (0.34) S1PR1S1PR3RARBRARARARG
SCHEMBL19829126 0.90 RARB (0.38) 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 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