SCHEMBL8961551

SCHEMBL8961551

C=CCCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCCC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.34
CNR2 P34972 2/20 0.33
S1PR1 P21453 1/20 0.32
DGAT1 O75907 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
SCN9A Q15858 1/20 0.31
CNR1 P21554 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
OPRL1 P41146 2/20 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
SCHEMBL8961553 0.97 FFAR4 (0.33) FFAR4CNR2S1PR1DGAT1GABRA1
SCHEMBL8934692 0.97 FFAR4 (0.35) FFAR4CNR2S1PR1DGAT1GABRA1
SCHEMBL8961580 0.97 FFAR4 (0.33) FFAR4CNR2DGAT1GABRA1GABRB2
SCHEMBL8961570 0.97 FFAR4 (0.33) FFAR4CNR2DGAT1GABRA1GABRB2
SCHEMBL8961572 0.97 FFAR4 (0.33) FFAR4CNR2DGAT1GABRA1GABRB2
SCHEMBL8961561 0.97 FFAR4 (0.33) FFAR4CNR2DGAT1GABRA1GABRB2
SCHEMBL8961542 0.96 GABRA1 (0.35) FFAR4DGAT1GABRA1GABRB2OPRL1
SCHEMBL8934695 0.95 FFAR4 (0.35) FFAR4CNR2S1PR1DGAT1GABRA1
SCHEMBL8961663 0.94 FFAR4 (0.32) FFAR4CNR2S1PR1GABRA1GABRB2
SCHEMBL8934696 0.94 FFAR4 (0.34) FFAR4CNR2S1PR1DGAT1GABRA1

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