SCHEMBL8944337

SCHEMBL8944337

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCCCCC)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CNR2 P34972 2/20 0.35
FPR2 P25090 4/20 0.34
CNR1 P21554 1/20 0.33
RARB P10826 1/20 0.32
SPHK2 Q9NRA0 2/20 0.30
PPARD Q03181 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
SCHEMBL8944080 1.00 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8944441 1.00 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8944431 1.00 GABRA1 (0.35) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8944070 0.99 GABRA1 (0.36) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8944039 0.96 CNR2 (0.36) GABRA1GABRB2CNR2FPR2CNR1
SCHEMBL8944426 0.94 GABRA1 (0.39) GABRA1GABRB2CNR2FPR2
SCHEMBL8944435 0.91 KDM1A (0.36) GABRA1GABRB2FPR2
SCHEMBL8944489 0.90 FPR2 (0.34) GABRA1GABRB2FPR2RARBSPHK2
SCHEMBL8944483 0.90 FPR2 (0.34) GABRA1GABRB2FPR2RARBSPHK2
SCHEMBL18718722 0.90 CNR2 (0.34) GABRA1GABRB2CNR2FPR2CNR1

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