SCHEMBL14766801

SCHEMBL14766801

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
HTR2A P28223 2/20 0.35
FFAR1 O14842 2/20 0.33
PTPN11 Q06124 1/20 0.33
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
CRBN Q96SW2 1/20 0.33
MCL1 Q07820 1/20 0.32
C3AR1 Q16581 1/20 0.32
CNR2 P34972 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
SCHEMBL14766961 0.97 FFAR4 (0.39) FFAR4S1PR1S1PR3HTR2AFFAR1
SCHEMBL14766590 0.97 FFAR4 (0.39) FFAR4S1PR1S1PR3HTR2AFFAR1
SCHEMBL14766875 0.94 FFAR4 (0.36) FFAR4S1PR1S1PR3HTR2AFFAR1
SCHEMBL14765993 0.94 S1PR1 (0.42) FFAR4S1PR1S1PR3HTR2AFFAR1
SCHEMBL14766879 0.93 FFAR4 (0.36) FFAR4S1PR1S1PR3HTR2AFFAR1
SCHEMBL14765828 0.91 S1PR1 (0.42) FFAR4S1PR1S1PR3HTR2AFFAR1
SCHEMBL14766265 0.91 S1PR1 (0.40) FFAR4S1PR1S1PR3HTR2AFFAR1
SCHEMBL12740057 0.91 FFAR4 (0.40) FFAR4S1PR1S1PR3HTR2AFFAR1
SCHEMBL14766856 0.90 FFAR4 (0.40) FFAR4S1PR1S1PR3HTR2AFFAR1
SCHEMBL14766903 0.90 FFAR4 (0.39) FFAR4S1PR1S1PR3HTR2AFFAR1

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