SCHEMBL20006751

SCHEMBL20006751

CCCc1ccc(C#Cc2cc(F)c(-c3ccccc3)cc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.44
FFAR4 Q5NUL3 3/20 0.42
CHRM2 P08172 1/20 0.42
S1PR1 P21453 1/20 0.42
FPR1 P21462 1/20 0.42
FPR3 P25089 1/20 0.42
GPR183 P32249 1/20 0.42
APLNR P35414 1/20 0.42
GPR65 Q8IYL9 1/20 0.42

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
SCHEMBL19999454 0.89 FFAR1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL20005228 0.89 FFAR1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL19999494 0.88 RARB (0.40) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL19999415 0.88 RARB (0.46) FFAR1
SCHEMBL20006883 0.88 FFAR1 (0.42) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL19999467 0.86 TSHR (0.44) FFAR1
SCHEMBL19999625 0.86 FFAR1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL19999414 0.85 ACACB (0.45) FFAR1FFAR4S1PR1
SCHEMBL20006669 0.84 FFAR1 (0.38) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL20005225 0.83 FFAR1 (0.46) FFAR1FFAR4CHRM2S1PR1FPR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208249-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2019-02-19 US disclosed
US-20180086979-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-29 US disclosed