SCHEMBL8934902

SCHEMBL8934902

CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(C)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
OPRL1 P41146 10/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
DGAT1 O75907 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
SCHEMBL8934989 0.99 GAA (0.38) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL8961868 0.96 GAA (0.34) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL8962078 0.95 GAA (0.36) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL15581195 0.91 GAA (0.37) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL8934845 0.91 OPRL1 (0.38) MAPTOPRL1MEN1KMT2AMAPK1
SCHEMBL15043577 0.91 OPRL1 (0.40) GAAMAPTOPRL1MEN1KMT2A
SCHEMBL8934142 0.90 DGAT1 (0.37) GAAMAPTOPRL1DGAT1
SCHEMBL4401705 0.89 CYP2C9 (0.39) GAAMAPTMEN1KMT2AMAPK1
SCHEMBL8934339 0.89 DGAT1 (0.37) GAAMAPTOPRL1DGAT1
SCHEMBL22277193 0.88 CYP2C9 (0.38) GAAMAPTMEN1KMT2AMAPK1

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