SCHEMBL14765913

SCHEMBL14765913

CCCCOc1ccc(-c2ccc(COc3ccc(C4CCC(OCCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
FFAR1 O14842 5/20 0.35
PPARD Q03181 2/20 0.35
F10 P00742 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
FFAR4 Q5NUL3 3/20 0.34
ALOX5 P09917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
NAAA Q02083 1/20 0.33
PTPN11 Q06124 1/20 0.33
FEN1 P39748 1/20 0.33
HTR6 P50406 1/20 0.32
RARA P10276 1/20 0.32

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
SCHEMBL14766145 0.97 S1PR1 (0.39) S1PR1S1PR3FFAR1PPARDF10
SCHEMBL14766091 0.94 S1PR1 (0.37) S1PR1S1PR3FFAR1PPARDF10
SCHEMBL14766959 0.94 FFAR1 (0.38) S1PR1S1PR3FFAR1PPARDF10
SCHEMBL14766234 0.92 S1PR1 (0.36) S1PR1S1PR3FFAR1PPARDF10
SCHEMBL14766617 0.91 FFAR1 (0.37) S1PR1S1PR3FFAR1PPARDF10
SCHEMBL14766042 0.91 S1PR1 (0.35) S1PR1S1PR3FFAR1PPARDF10
SCHEMBL12736426 0.91 S1PR1 (0.40) S1PR1S1PR3FFAR1PPARDF10
SCHEMBL14767037 0.90 FFAR1 (0.38) FFAR1PPARDF10FFAR4KDM4E
SCHEMBL14766568 0.90 FEN1 (0.35) HTR1ASLC6A2SLC6A4SLC6A3FFAR4
SCHEMBL14765845 0.90 FEN1 (0.35) HTR1ASLC6A2SLC6A4SLC6A3FFAR4

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