SCHEMBL8956399

SCHEMBL8956399

C=CCCC1OCC(c2ccc(-c3ccc(-c4ccc(OCCCCCCCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.33
CNR2 P34972 2/20 0.32
PTPN11 Q06124 3/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR1 P21554 1/20 0.31
PTPN1 P18031 1/20 0.30
PTPN6 P29350 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
SCHEMBL8956395 1.00 FPR2 (0.33) FPR2CNR2PTPN11GABRA1GABRB2
SCHEMBL8956420 1.00 FPR2 (0.33) FPR2CNR2PTPN11GABRA1GABRB2
SCHEMBL8956405 1.00 FPR2 (0.33) FPR2CNR2PTPN11GABRA1GABRB2
SCHEMBL8956387 0.99 FPR2 (0.34) FPR2CNR2PTPN11GABRA1GABRB2
SCHEMBL8956389 0.97 CNR2 (0.33) FPR2CNR2GABRA1GABRB2CNR1
SCHEMBL8956305 0.94 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8958251 0.92 FPR2 (0.34) FPR2CNR2GABRA1GABRB2CNR1
SCHEMBL8958241 0.92 FPR2 (0.34) FPR2CNR2GABRA1GABRB2CNR1
SCHEMBL8958575 0.92 FPR2 (0.34) FPR2CNR2GABRA1GABRB2CNR1
SCHEMBL8958278 0.92 FPR2 (0.34) FPR2CNR2GABRA1GABRB2CNR1

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