SCHEMBL14765828

SCHEMBL14765828

CCCCOc1ccc(-c2ccc(CCc3ccc(C4CCC(OCCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 2/20 0.42
FFAR4 Q5NUL3 8/20 0.38
RARB P10826 2/20 0.34
FFAR1 O14842 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
C3AR1 Q16581 1/20 0.32
PTPN11 Q06124 1/20 0.32
HTR2A P28223 1/20 0.32
RARA P10276 1/20 0.32
CRBN Q96SW2 1/20 0.32
MCL1 Q07820 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
SCHEMBL14765993 0.97 S1PR1 (0.42) S1PR1S1PR3FFAR4RARBFFAR1
SCHEMBL14766265 0.95 S1PR1 (0.40) S1PR1S1PR3FFAR4RARBFFAR1
SCHEMBL14766590 0.94 FFAR4 (0.39) S1PR1S1PR3FFAR4RARBFFAR1
SCHEMBL14765945 0.92 S1PR1 (0.39) S1PR1S1PR3FFAR4RARBFFAR1
SCHEMBL14766801 0.91 FFAR4 (0.39) S1PR1S1PR3FFAR4RARBFFAR1
SCHEMBL14765960 0.91 S1PR1 (0.38) S1PR1S1PR3FFAR4RARBFFAR1
SCHEMBL12735481 0.90 S1PR1 (0.43) S1PR1S1PR3FFAR4RARBFFAR1
SCHEMBL14765974 0.89 FFAR4 (0.39) S1PR1S1PR3FFAR4RARBFFAR1
SCHEMBL14765740 0.89 FFAR4 (0.39) S1PR1S1PR3FFAR4FFAR1NR1H4
SCHEMBL12735490 0.88 S1PR1 (0.42) S1PR1S1PR3FFAR4RARBFFAR1

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