SCHEMBL8947367

SCHEMBL8947367

C=CCOc1ccc(-c2ccc(-c3ccc(-c4ccc5cc(CCCCC)ccc5c4F)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
RARB P10826 2/20 0.36
CNR2 P34972 2/20 0.35
MPL P40238 6/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CNR1 P21554 1/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8942430 0.92 CNR2 (0.39) LTA4HRARBCNR2MPLLMNA
SCHEMBL3160211 0.90 THRB (0.39) RARBCNR2MPLLMNAKMT2A
SCHEMBL3163557 0.89 RARB (0.39) RARBCNR2MPLLMNAKMT2A
SCHEMBL3158588 0.89 THRB (0.39) RARBCNR2MPLLMNAKMT2A
SCHEMBL3172170 0.89 RARB (0.39) RARBCNR2MPLLMNAKMT2A
SCHEMBL8947021 0.88 RARB (0.35) LTA4HRARBCNR2MPLLMNA
SCHEMBL3167679 0.88 RARB (0.38) RARBCNR2MPLLMNAKMT2A
SCHEMBL6060018 0.88 THRB (0.40) RARBCNR2MPLLMNAKMT2A
SCHEMBL3158653 0.88 RARB (0.38) RARBCNR2MPLLMNAKMT2A
SCHEMBL6060770 0.87 RARB (0.40) RARBCNR2MPLLMNAKMT2A

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