SCHEMBL14766113

SCHEMBL14766113

CCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.44
PPARD Q03181 1/20 0.43
KMT2A Q03164 2/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
PTGS2 P35354 2/20 0.42
CHRNA7 P36544 3/20 0.41
HMOX1 P09601 1/20 0.41

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
SCHEMBL12737559 0.95 MAPT (0.44) MAPTFFAR1FFAR4THRBTP53
SCHEMBL14766235 0.95 FFAR1 (0.50) MAPTFFAR1FFAR4THRBPPARD
SCHEMBL14766435 0.94 MAPT (0.48) MAPTFFAR1FFAR4THRBTP53
SCHEMBL12737563 0.94 MAPT (0.43) MAPTFFAR1FFAR4THRBTP53
SCHEMBL12737564 0.94 MAPT (0.46) MAPTFFAR1FFAR4THRBTP53
SCHEMBL14767138 0.94 MAPT (0.48) MAPTFFAR1FFAR4THRBTP53
SCHEMBL12717361 0.92 MAPT (0.50) MAPTFFAR1FFAR4THRBTP53
SCHEMBL14766017 0.92 S1PR1 (0.48) MAPTFFAR1FFAR4PPARDKMT2A
SCHEMBL14766086 0.92 MAPT (0.45) MAPTFFAR1FFAR4THRBTP53
SCHEMBL12737561 0.91 MAPT (0.41) MAPTFFAR1FFAR4THRBTP53

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed