SCHEMBL14766875

SCHEMBL14766875

C=CCCCOc1ccc(CCc2ccc(-c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
FFAR1 O14842 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HTR2A P28223 1/20 0.32
CNR2 P34972 2/20 0.32
PTPN11 Q06124 1/20 0.30
SLC10A2 Q12908 1/20 0.30
CNR1 P21554 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
SCHEMBL14766879 0.98 FFAR4 (0.36) FFAR4S1PR1S1PR3FFAR1GABRA1
SCHEMBL14765945 0.94 S1PR1 (0.39) FFAR4S1PR1S1PR3FFAR1GABRA1
SCHEMBL14766801 0.94 FFAR4 (0.39) FFAR4S1PR1S1PR3FFAR1HTR2A
SCHEMBL14765960 0.92 S1PR1 (0.38) FFAR4S1PR1S1PR3FFAR1GABRA1
SCHEMBL14766570 0.92 FFAR4 (0.35) FFAR4S1PR1S1PR3GABRA1GABRB2
SCHEMBL14766590 0.92 FFAR4 (0.39) FFAR4S1PR1S1PR3FFAR1HTR2A
SCHEMBL14766961 0.92 FFAR4 (0.39) FFAR4S1PR1S1PR3FFAR1HTR2A
SCHEMBL14767169 0.91 FFAR4 (0.36) FFAR4S1PR1S1PR3FFAR1HTR2A
SCHEMBL12740070 0.90 FFAR4 (0.38) FFAR4S1PR1S1PR3FFAR1
SCHEMBL14766732 0.90 FFAR4 (0.34) FFAR4S1PR1S1PR3FFAR1HTR2A

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