SCHEMBL8942430

SCHEMBL8942430

C=CCOc1ccc(-c2ccc(-c3ccc(-c4ccc5cc(CCCCC)ccc5c4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.39
LTA4H P09960 1/20 0.39
RARB P10826 1/20 0.37
THRB P10828 1/20 0.37
CNR1 P21554 2/20 0.36
MPL P40238 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34

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
SCHEMBL8946222 0.94 RARB (0.40) CNR2LTA4HRARBTHRBCNR1
SCHEMBL8947367 0.92 LTA4H (0.38) CNR2LTA4HRARBTHRBCNR1
SCHEMBL8947021 0.90 RARB (0.35) CNR2LTA4HRARBCNR1MPL
SCHEMBL8947357 0.89 RARB (0.35) CNR2LTA4HRARBTHRBCNR1
SCHEMBL3160211 0.83 THRB (0.39) CNR2RARBTHRBCNR1MPL
SCHEMBL8947153 0.82 CTSL (0.35) CNR2LTA4HTHRBCNR1LMNA
SCHEMBL3158588 0.82 THRB (0.39) CNR2RARBTHRBCNR1MPL
SCHEMBL8947187 0.82 CTSL (0.36) CNR2LTA4HRARBTHRBCNR1
SCHEMBL8942564 0.82 RAB9A (0.49) CNR2LTA4HRARBCNR1MAPT
SCHEMBL3172170 0.82 RARB (0.39) CNR2RARBTHRBCNR1MPL

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