SCHEMBL14765809

SCHEMBL14765809

CCOc1ccc(-c2ccc(COc3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.38
ALOX5AP P20292 4/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
HTR1A P08908 4/20 0.37
CCR5 P51681 1/20 0.37
NAAA Q02083 2/20 0.36
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL14767058 1.00 FEN1 (0.38) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL14766788 0.91 FEN1 (0.39) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL14766046 0.91 FEN1 (0.39) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL14766005 0.91 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL14766976 0.91 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12736270 0.90 FEN1 (0.38) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740826 0.90 FEN1 (0.38) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL14767171 0.90 GABRA1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL14766075 0.90 GABRA1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL14766616 0.89 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3

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