SCHEMBL14766565

SCHEMBL14766565

C=CCCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.40
PPARD Q03181 5/20 0.40
FFAR4 Q5NUL3 2/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
S1PR1 P21453 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CHRNA7 P36544 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14766393 0.94 RARB (0.46) FFAR1PPARDFFAR4RARARARB
SCHEMBL14767006 0.93 FFAR1 (0.38) FFAR1FFAR4MAPTTHRBHCRTR1
SCHEMBL14766094 0.93 FFAR1 (0.38) FFAR1FFAR4MAPTTHRBHCRTR1
SCHEMBL14766395 0.92 RARB (0.46) FFAR1PPARDFFAR4RARARARB
SCHEMBL12738213 0.92 MAPT (0.40) FFAR1PPARDFFAR4RARARARB
SCHEMBL14766613 0.91 FFAR1 (0.41) FFAR1PPARDFFAR4RARARARB
SCHEMBL14766467 0.90 FFAR1 (0.45) FFAR1PPARDFFAR4RARARARB
SCHEMBL12738217 0.89 MAPT (0.39) FFAR1PPARDFFAR4RARARARB
SCHEMBL12822968 0.89 RARA (0.33) FFAR1FFAR4RARARARB
SCHEMBL14766216 0.88 MAPT (0.42) FFAR1PPARDFFAR4MAPTTHRB

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