SCHEMBL8952191

SCHEMBL8952191

C=CC1COC(c2ccc(-c3ccc(-c4ccc(OCCCCCCC)c(F)c4F)cc3)c(F)c2F)OC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR1 P21554 1/20 0.33
FPR2 P25090 2/20 0.32
PTPN11 Q06124 2/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
S1PR5 Q9H228 2/20 0.30
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
SCHEMBL8952336 1.00 CNR2 (0.35) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8952200 1.00 CNR2 (0.35) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8952289 1.00 CNR2 (0.35) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8952166 0.99 CNR2 (0.35) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8952212 0.96 CNR2 (0.36) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8952290 0.93 GABRA1 (0.37) CNR2GABRA1GABRB2FPR2
SCHEMBL8950715 0.92 CNR2 (0.34) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8950673 0.92 CNR2 (0.34) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8950686 0.92 CNR2 (0.34) CNR2GABRA1GABRB2CNR1FPR2
SCHEMBL8950739 0.92 CNR2 (0.34) CNR2GABRA1GABRB2CNR1FPR2

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