SCHEMBL13586281

SCHEMBL13586281

CCCC(O)C1CCC(c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 8/20 0.34
▸ ALOX5AP P20292 6/20 0.34
▸ FPR2 P25090 2/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 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
SCHEMBL12822913 1.00 FEN1 (0.34) FEN1ALOX5APFPR2HTR1ASLC6A2
SCHEMBL12823568 0.92 FEN1 (0.36) FEN1ALOX5APFPR2HTR1ASLC6A2
SCHEMBL12822960 0.90 FEN1 (0.36) FEN1ALOX5APFPR2HTR1ASLC6A2
SCHEMBL12821293 0.90 FEN1 (0.36) FEN1ALOX5APFPR2HTR1ASLC6A2
SCHEMBL12822836 0.89 FEN1 (0.35) FEN1ALOX5APHTR1ASLC6A2SLC6A4
SCHEMBL12821175 0.89 FEN1 (0.35) FEN1ALOX5APHTR1ASLC6A2SLC6A4
SCHEMBL13586453 0.89 FPR2 (0.32) FEN1ALOX5APFPR2HTR1ASLC6A2
SCHEMBL12822802 0.89 NR1H4 (0.33) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL13586476 0.87 FFAR1 (0.38) FEN1ALOX5AP
SCHEMBL12717013 0.87 GABRA1 (0.34) FEN1ALOX5AP

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
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