SCHEMBL13586290

SCHEMBL13586290

CCOCc1ccc(C2CCC(OCc3ccc(-c4ccc(OC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 8/20 0.36
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
SCN9A Q15858 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
QPCT Q16769 1/20 0.31
SYK P43405 1/20 0.31
HTR1A P08908 1/20 0.31
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RCE1 Q9Y256 1/20 0.30

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
SCHEMBL13586194 1.00 NAAA (0.36) NAAAALOX5APFEN1SCN9AFFAR4
SCHEMBL13586450 0.96 ALOX5AP (0.36) NAAAALOX5APFEN1SCN9AFFAR4
SCHEMBL12822607 0.90 NAAA (0.37) NAAAALOX5APFEN1FFAR4SYK
SCHEMBL12823750 0.90 NAAA (0.37) NAAAALOX5APFEN1FFAR4SYK
SCHEMBL12821200 0.90 NAAA (0.37) NAAAALOX5APFEN1FFAR4SYK
SCHEMBL12822777 0.90 NAAA (0.37) NAAAALOX5APFEN1FFAR4SYK
SCHEMBL12822818 0.89 ALOX5AP (0.33) ALOX5APFEN1SCN9AFFAR4QPCT
SCHEMBL12719140 0.89 ALOX5AP (0.33) ALOX5APFEN1SCN9AFFAR4QPCT
SCHEMBL12736755 0.89 ALOX5AP (0.33) ALOX5APFEN1FFAR4QPCTHTR1A
SCHEMBL12740318 0.89 ALOX5AP (0.33) ALOX5APFEN1FFAR4QPCTHTR1A

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