SCHEMBL20005185

SCHEMBL20005185

CCCc1ccc(C#Cc2cc(F)c(C#Cc3ccc(C)cc3)cc2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.47
FFAR4 Q5NUL3 3/20 0.37
CHRM2 P08172 1/20 0.37
S1PR1 P21453 1/20 0.37
FPR1 P21462 1/20 0.37
FPR3 P25089 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
ACACB O00763 4/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL8978969 0.94 FFAR1 (0.46) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL8978893 0.88 FFAR1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL15430819 0.88 HSD17B10 (0.43) FFAR1FFAR4CHRM2
SCHEMBL12700650 0.87 FFAR1 (0.40) FFAR1FFAR4ACACBCYP2A6
SCHEMBL15430817 0.86 FFAR1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL20005228 0.86 FFAR1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL19999454 0.86 FFAR1 (0.43) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL8979020 0.86 FFAR1 (0.44) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL8979067 0.86 FFAR1 (0.44) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL8979078 0.86 FFAR1 (0.44) FFAR1FFAR4CYP1A2CYP2A6TAAR1

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 3 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
EP-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed