SCHEMBL8950686

SCHEMBL8950686

C=CC1COC(c2ccc(-c3ccc(-c4ccc(OCCCCCCCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
PTPN11 Q06124 5/20 0.33
FPR2 P25090 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR1 P21554 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
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
SCHEMBL8950673 1.00 CNR2 (0.34) CNR2PTPN11FPR2GABRA1GABRB2
SCHEMBL8950715 1.00 CNR2 (0.34) CNR2PTPN11FPR2GABRA1GABRB2
SCHEMBL8950739 1.00 CNR2 (0.34) CNR2PTPN11FPR2GABRA1GABRB2
SCHEMBL8950726 0.99 CNR2 (0.35) CNR2PTPN11FPR2GABRA1GABRB2
SCHEMBL8950661 0.96 CNR2 (0.35) CNR2FPR2GABRA1GABRB2CNR1
SCHEMBL8950637 0.94 GABRA1 (0.36) CNR2FPR2GABRA1GABRB2
SCHEMBL8952289 0.92 CNR2 (0.35) CNR2PTPN11FPR2GABRA1GABRB2
SCHEMBL8952200 0.92 CNR2 (0.35) CNR2PTPN11FPR2GABRA1GABRB2
SCHEMBL8952336 0.92 CNR2 (0.35) CNR2PTPN11FPR2GABRA1GABRB2
SCHEMBL8952191 0.92 CNR2 (0.35) CNR2PTPN11FPR2GABRA1GABRB2

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