SCHEMBL8946222

SCHEMBL8946222

C=CCOc1ccc(-c2ccc(-c3ccc(-c4ccc5cc(CCCCC)ccc5c4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.40
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
LTA4H P09960 1/20 0.35
CNR2 P34972 3/20 0.35
MPL P40238 2/20 0.33
CNR1 P21554 2/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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 0.94 CNR2 (0.39) RARBLTA4HCNR2MPLCNR1
SCHEMBL3167767 0.87 RARB (0.45) RARBRARARARGCNR2CNR1
SCHEMBL8947021 0.87 RARB (0.35) RARBRARARARGLTA4HCNR2
SCHEMBL8947367 0.86 LTA4H (0.38) RARBLTA4HCNR2MPLCNR1
SCHEMBL3162207 0.86 RARB (0.47) RARBRARARARGCNR2CNR1
SCHEMBL3152330 0.86 RARB (0.47) RARBRARARARGCNR2CNR1
SCHEMBL8947357 0.85 RARB (0.35) RARBRARARARGLTA4HCNR2
SCHEMBL8945026 0.84 RAB9A (0.44) RARBRARARARGLTA4HCNR2
SCHEMBL3162755 0.84 RARB (0.41) RARBRARARARGCNR2MPL
SCHEMBL8945787 0.84 RARB (0.39) RARBRARARARGLTA4HCNR2

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