SCHEMBL8961663

SCHEMBL8961663

C=CCCCOc1ccc(-c2ccc(-c3ccc(C4CCC(C5CCC(CCCCC)CC5)CC4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR2 P34972 1/20 0.31
S1PR1 P21453 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
SCHEMBL8961712 0.97 FFAR4 (0.31) FFAR4GABRA1GABRB2CNR2
SCHEMBL8961553 0.95 FFAR4 (0.33) FFAR4GABRA1GABRB2CNR2S1PR1
SCHEMBL8961572 0.94 FFAR4 (0.33) FFAR4GABRA1GABRB2CNR2
SCHEMBL8961570 0.94 FFAR4 (0.33) FFAR4GABRA1GABRB2CNR2
SCHEMBL8961580 0.94 FFAR4 (0.33) FFAR4GABRA1GABRB2CNR2
SCHEMBL8961561 0.94 FFAR4 (0.33) FFAR4GABRA1GABRB2CNR2
SCHEMBL8961551 0.94 FFAR4 (0.34) FFAR4GABRA1GABRB2CNR2S1PR1
SCHEMBL8960349 0.93 FFAR4 (0.33) FFAR4S1PR1
SCHEMBL8960538 0.93 S1PR1 (0.34) FFAR4S1PR1
SCHEMBL8960692 0.92 HTR2C (0.32) FFAR4

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed