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SCHEMBL19829234

SCHEMBL19829234

CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4ccc(-c5cc(F)c(OCF)c(F)c5)c(F)c4)cc3)c(F)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.34
▸ S1PR3 Q99500 2/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ RARB P10826 4/20 0.32
▸ RARA P10276 2/20 0.31
▸ RARG P13631 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 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
SCHEMBL18310577 0.96 S1PR1 (0.36) S1PR1S1PR3FFAR4FFAR1RARB
SCHEMBL19829173 0.96 S1PR1 (0.36) S1PR1S1PR3FFAR4FFAR1RARB
SCHEMBL19829206 0.95 S1PR1 (0.35) S1PR1S1PR3FFAR4FFAR1RARB
SCHEMBL19829222 0.94 S1PR1 (0.34) S1PR1S1PR3FFAR4FFAR1RARB
SCHEMBL19829225 0.90 S1PR1 (0.39) S1PR1S1PR3FFAR4FFAR1RARB
SCHEMBL19829192 0.90 FFAR1 (0.35) S1PR1S1PR3FFAR4FFAR1GRM2
SCHEMBL19829163 0.89 RARB (0.32) FFAR4RARBRARARARG
SCHEMBL18310368 0.89 RARB (0.32) FFAR4RARBRARARARG
SCHEMBL12624918 0.89 RARB (0.41) S1PR1S1PR3FFAR4FFAR1RARB
SCHEMBL19829159 0.89 RARB (0.38) S1PR1S1PR3FFAR4FFAR1RARB

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