SCHEMBL14766724

SCHEMBL14766724

CCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(OCC)cc4F)cc3)c(F)c2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.47
FFAR1 O14842 3/20 0.47
PTGS2 P35354 2/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
HMOX1 P09601 3/20 0.40
CHRNA7 P36544 3/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PPARD Q03181 1/20 0.39

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
SCHEMBL14766401 0.94 FFAR4 (0.51) FFAR4FFAR1PTGS2LMNA
SCHEMBL12738270 0.94 FFAR4 (0.42) FFAR4FFAR1PTGS2HCRTR1HCRTR2
SCHEMBL12823521 0.94 CYP2C19 (0.45) FFAR4FFAR1PTGS2MAPTLMNA
SCHEMBL12738255 0.94 FFAR4 (0.42) FFAR4FFAR1PTGS2HCRTR1HCRTR2
SCHEMBL12738269 0.93 FFAR4 (0.42) FFAR4FFAR1PTGS2HCRTR1HCRTR2
SCHEMBL14767124 0.93 FFAR4 (0.49) FFAR4FFAR1HCRTR1HCRTR2MAPT
SCHEMBL14766983 0.92 FFAR4 (0.41) FFAR4FFAR1PTGS2HCRTR1HCRTR2
SCHEMBL12738256 0.91 MAPT (0.47) FFAR4FFAR1PTGS2MAPTTHRB
SCHEMBL14766424 0.91 RARA (0.48) FFAR4FFAR1LMNA
SCHEMBL12738260 0.90 FFAR4 (0.40) FFAR4FFAR1PTGS2HCRTR1HCRTR2

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