SCHEMBL14767124

SCHEMBL14767124

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.49
FFAR1 O14842 3/20 0.49
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CPS1 P31327 2/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
CHRNA7 P36544 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PPARD Q03181 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL14767280 0.94 FFAR4 (0.53) FFAR4FFAR1MAPTTHRBLMNA
SCHEMBL12741984 0.94 MAPT (0.46) FFAR4FFAR1MAPTTHRBLMNA
SCHEMBL12741964 0.94 FFAR4 (0.44) FFAR4FFAR1MAPTTHRBLMNA
SCHEMBL12719319 0.94 CPS1 (0.47) FFAR4FFAR1MAPTTHRBLMNA
SCHEMBL12741982 0.93 FFAR4 (0.43) FFAR4FFAR1MAPTTHRBLMNA
SCHEMBL14766724 0.93 FFAR4 (0.47) FFAR4FFAR1MAPTTHRBLMNA
SCHEMBL14766892 0.91 FFAR4 (0.43) FFAR4FFAR1MAPTTHRBLMNA
SCHEMBL12741965 0.91 MAPT (0.48) FFAR4FFAR1MAPTTHRBRARA
SCHEMBL14766965 0.90 RARA (0.53) FFAR4FFAR1LMNARARARARB
SCHEMBL12741973 0.90 FFAR4 (0.41) FFAR4FFAR1MAPTTHRBLMNA

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