SCHEMBL8940077

SCHEMBL8940077

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2)OC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR1 P21554 1/20 0.32
KDM1A O60341 2/20 0.32
PPARD Q03181 1/20 0.31
FPR2 P25090 2/20 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
SCHEMBL8940145 0.97 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1KDM1A
SCHEMBL8940202 0.96 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1KDM1A
SCHEMBL8940149 0.96 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1KDM1A
SCHEMBL8940357 0.96 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1KDM1A
SCHEMBL8940087 0.96 GABRA1 (0.34) CNR2GABRA1GABRB2CNR1KDM1A
SCHEMBL8940058 0.95 GABRA1 (0.37) GABRA1GABRB2KDM1AFPR2
SCHEMBL18718589 0.94 KDM1A (0.33) CNR2GABRA1GABRB2CNR1KDM1A
SCHEMBL8940110 0.93 KDM1A (0.37) GABRA1GABRB2KDM1AFPR2
SCHEMBL13262757 0.93
SCHEMBL8940209 0.90 KDM1A (0.31) KDM1APPARD

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