SCHEMBL12836492

SCHEMBL12836492

CC(O)c1ccc(OCC2CCC(c3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 3/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ CNR2 P34972 13/20 0.34
▸ CNR1 P21554 5/20 0.34
▸ PIM1 P11309 2/20 0.33
▸ FPR2 P25090 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
SCHEMBL12836034 1.00 FEN1 (0.34) FEN1ALOX5APCNR2CNR1PIM1
SCHEMBL12223313 0.97 ALOX5AP (0.33) FEN1ALOX5APCNR2CNR1PIM1
SCHEMBL12907337 0.96 CNR2 (0.35) FEN1ALOX5APCNR2CNR1FPR2
SCHEMBL11939324 0.91 CNR2 (0.37) FEN1ALOX5APCNR2CNR1
SCHEMBL11939352 0.91 CNR2 (0.37) FEN1ALOX5APCNR2CNR1
SCHEMBL12836054 0.90 CNR2 (0.36) FEN1ALOX5APCNR2FPR2
SCHEMBL12836512 0.90 CNR2 (0.36) FEN1ALOX5APCNR2FPR2
SCHEMBL12836501 0.90 FFAR4 (0.34) FEN1ALOX5APCNR2FPR2
SCHEMBL12836499 0.90 FPR2 (0.33) CNR2PIM1FPR2
SCHEMBL11939934 0.89 FFAR4 (0.35) FEN1ALOX5APCNR2FPR2

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-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO disclosed
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