SCHEMBL8946391

SCHEMBL8946391

C=CCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCCCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
CNR2 P34972 1/20 0.31
PTPN11 Q06124 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
SCHEMBL8946382 1.00 FPR2 (0.32) FPR2GABRA1GABRB2CNR2PTPN11
SCHEMBL8946349 1.00 FPR2 (0.32) FPR2GABRA1GABRB2CNR2PTPN11
SCHEMBL8946428 1.00 FPR2 (0.32) FPR2GABRA1GABRB2CNR2PTPN11
SCHEMBL8946503 0.99 FPR2 (0.33) FPR2GABRA1GABRB2CNR2
SCHEMBL8946334 0.97 CNR2 (0.32) GABRA1GABRB2CNR2
SCHEMBL8946311 0.94 GABRA1 (0.35) FPR2GABRA1GABRB2
SCHEMBL8947845 0.93 FPR2 (0.33) FPR2GABRA1GABRB2CNR2
SCHEMBL8947897 0.93 FPR2 (0.33) FPR2GABRA1GABRB2CNR2
SCHEMBL8947864 0.93 FPR2 (0.33) FPR2GABRA1GABRB2CNR2
SCHEMBL8947842 0.92 FPR2 (0.33) FPR2GABRA1GABRB2CNR2

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