SCHEMBL14765739

SCHEMBL14765739

C=CCOc1ccc(-c2ccc(CCc3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.36
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
GYS1 P13807 1/20 0.32
HTR2A P28223 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL14766587 0.94 FFAR4 (0.36) FFAR4GABRA1GABRB2GYS1HTR2A
SCHEMBL14766285 0.92 FFAR4 (0.35) FFAR4S1PR1S1PR3NR1H4GABRA1
SCHEMBL14765740 0.91 FFAR4 (0.39) FFAR4S1PR1S1PR3NR1H4
SCHEMBL12735505 0.90 FFAR4 (0.37) FFAR4S1PR1S1PR3NR1H4GYS1
SCHEMBL14766028 0.90 FFAR4 (0.37) FFAR4NR1H4GYS1HTR2AMEN1
SCHEMBL12717037 0.87 FFAR4 (0.37) FFAR4S1PR1S1PR3NR1H4GYS1
SCHEMBL14765802 0.87 GYS1 (0.35) FFAR4NR1H4GABRA1GABRB2GYS1
SCHEMBL14765728 0.87 GABRA1 (0.35) FFAR4GABRA1GABRB2HTR2AMEN1
SCHEMBL12735468 0.87 FFAR4 (0.37) FFAR4S1PR1S1PR3NR1H4
SCHEMBL14766742 0.87 GABRA1 (0.35) FFAR4GABRA1GABRB2HTR2AMEN1

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