SCHEMBL14765740

SCHEMBL14765740

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.39
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
NR1H4 Q96RI1 2/20 0.34
PTGS2 P35354 1/20 0.32
FFAR1 O14842 2/20 0.32
HMOX1 P09601 1/20 0.32
GRM2 Q14416 1/20 0.32
F10 P00742 1/20 0.31
DHODH Q02127 1/20 0.31
CAMKK1 Q8N5S9 1/20 0.31
CAMKK2 Q96RR4 1/20 0.31

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
SCHEMBL14766903 0.93 FFAR4 (0.39) FFAR4S1PR1S1PR3NR1H4FFAR1
SCHEMBL14766265 0.93 S1PR1 (0.40) FFAR4S1PR1S1PR3NR1H4PTGS2
SCHEMBL12717033 0.92 FFAR4 (0.39) FFAR4S1PR1S1PR3NR1H4PTGS2
SCHEMBL12735479 0.91 FFAR4 (0.39) FFAR4S1PR1S1PR3NR1H4PTGS2
SCHEMBL14765739 0.91 FFAR4 (0.36) FFAR4S1PR1S1PR3NR1H4
SCHEMBL12716995 0.90 FFAR4 (0.39) FFAR4S1PR1S1PR3NR1H4PTGS2
SCHEMBL14765993 0.90 S1PR1 (0.42) FFAR4S1PR1S1PR3NR1H4FFAR1
SCHEMBL12735476 0.90 FFAR4 (0.40) FFAR4S1PR1S1PR3NR1H4PTGS2
SCHEMBL14766285 0.90 FFAR4 (0.35) FFAR4S1PR1S1PR3NR1H4
SCHEMBL14765828 0.89 S1PR1 (0.42) FFAR4S1PR1S1PR3NR1H4FFAR1

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