SCHEMBL13586103

SCHEMBL13586103

CCOCc1ccc(-c2ccc(COc3ccc(C4CCC(OC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 9/20 0.36
ALOX5AP P20292 7/20 0.36
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
HTR1A P08908 3/20 0.34
FFAR4 Q5NUL3 1/20 0.32
QPCT Q16769 1/20 0.32
NAAA Q02083 1/20 0.31
SCN9A Q15858 1/20 0.31
FPR2 P25090 1/20 0.31
HTR6 P50406 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
SCHEMBL13586277 1.00 FEN1 (0.36) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12823847 0.91 FEN1 (0.37) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12717236 0.91 FEN1 (0.37) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12736306 0.91 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL12740841 0.91 FEN1 (0.35) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL14766046 0.90 FEN1 (0.39) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL14766788 0.90 FEN1 (0.39) FEN1ALOX5APSLC6A2SLC6A4SLC6A3
SCHEMBL13586610 0.88 FFAR4 (0.35) FEN1ALOX5APFFAR4QPCT
SCHEMBL13586392 0.88 FFAR4 (0.35) FEN1ALOX5APFFAR4QPCT
SCHEMBL12822872 0.88 FEN1 (0.39) 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
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 WO disclosed