SCHEMBL8944613

SCHEMBL8944613

C=CCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCCCCCC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR2 P34972 2/20 0.32
RARB P10826 1/20 0.30
CNR1 P21554 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
SCHEMBL8944718 1.00 FPR2 (0.33) FPR2GABRA1GABRB2CNR2RARB
SCHEMBL8944704 1.00 FPR2 (0.33) FPR2GABRA1GABRB2CNR2RARB
SCHEMBL8944887 1.00 FPR2 (0.33) FPR2GABRA1GABRB2CNR2RARB
SCHEMBL8944866 0.99 FPR2 (0.33) FPR2GABRA1GABRB2CNR2CNR1
SCHEMBL8944693 0.97 CNR2 (0.32) FPR2GABRA1GABRB2CNR2CNR1
SCHEMBL8944548 0.94 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8943876 0.92 FPR2 (0.35) FPR2RARB
SCHEMBL8943307 0.92 FPR2 (0.35) FPR2RARB
SCHEMBL8944113 0.92 FPR2 (0.35) FPR2RARB
SCHEMBL8944200 0.92 FPR2 (0.35) FPR2RARB

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