SCHEMBL8948914

SCHEMBL8948914

C=CC1COC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.34
FPR2 P25090 6/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
PPARD Q03181 2/20 0.32
KDM1A O60341 2/20 0.31

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
SCHEMBL8948831 0.97 CNR2 (0.35) CNR2CNR1FPR2GABRA1GABRB2
SCHEMBL8948844 0.96 CNR2 (0.35) CNR2CNR1FPR2GABRA1GABRB2
SCHEMBL8948842 0.96 CNR2 (0.35) CNR2CNR1FPR2GABRA1GABRB2
SCHEMBL8948861 0.96 CNR2 (0.35) CNR2CNR1FPR2GABRA1GABRB2
SCHEMBL8948856 0.96 CNR2 (0.35) CNR2CNR1FPR2GABRA1GABRB2
SCHEMBL8948786 0.95 FPR2 (0.37) FPR2GABRA1GABRB2KDM1A
SCHEMBL8948769 0.92 KDM1A (0.38) FPR2GABRA1GABRB2KDM1A
SCHEMBL8949101 0.90 FPR2 (0.33) FPR2PPARDKDM1A
SCHEMBL8949731 0.89 CNR2 (0.34) CNR2CNR1FPR2GABRA1GABRB2
SCHEMBL8940077 0.88 CNR2 (0.34) CNR2CNR1FPR2GABRA1GABRB2

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