SCHEMBL14766613

SCHEMBL14766613

C=CCOc1ccc(-c2ccc(OC(=O)c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.41
PPARD Q03181 4/20 0.41
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNA7 P36544 2/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
FLT3 P36888 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ERN1 O75460 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL14766236 0.92 MAPT (0.41) FFAR1MAPTTHRBFFAR4NPC1
SCHEMBL14767077 0.92 MAPT (0.41) FFAR1MAPTTHRBFFAR4NPC1
SCHEMBL12738211 0.91 MAPT (0.41) FFAR1PPARDMAPTTHRBFFAR4
SCHEMBL14766467 0.91 FFAR1 (0.45) FFAR1PPARDMAPTTHRBFFAR4
SCHEMBL14766565 0.91 FFAR1 (0.40) FFAR1PPARDMAPTTHRBFFAR4
SCHEMBL12823276 0.88 FLT3 (0.33) FFAR1MAPTTHRBFFAR4RARA
SCHEMBL14766535 0.88 MAPT (0.44) FFAR1PPARDMAPTTHRBFFAR4
SCHEMBL12738188 0.88 MAPT (0.41) FFAR1PPARDMAPTTHRBFFAR4
SCHEMBL14767086 0.87 MAPT (0.43) FFAR1PPARDMAPTTHRBFFAR4
SCHEMBL14766983 0.87 FFAR4 (0.41) FFAR1MAPTTHRBFFAR4NPC1

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