SCHEMBL12836038

SCHEMBL12836038

CCCC(O)c1ccc(C2CCC(COc3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.33
▸ FPR2 P25090 4/20 0.33
▸ FEN1 P39748 3/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ CNR1 P21554 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
SCHEMBL12836495 1.00 CNR2 (0.33) CNR2FPR2FEN1ALOX5APCNR1
SCHEMBL12907786 0.96 CNR2 (0.35) CNR2FPR2FEN1ALOX5APCNR1
SCHEMBL12836054 0.93 CNR2 (0.36) CNR2FPR2FEN1ALOX5AP
SCHEMBL12836512 0.93 CNR2 (0.36) CNR2FPR2FEN1ALOX5AP
SCHEMBL11939353 0.93 CNR2 (0.36) CNR2FEN1ALOX5APCNR1
SCHEMBL11939325 0.93 CNR2 (0.36) CNR2FEN1ALOX5APCNR1
SCHEMBL12836500 0.91 FPR2 (0.31) CNR2FPR2
SCHEMBL12836496 0.91 FPR2 (0.33) CNR2FPR2FEN1
SCHEMBL12222857 0.90 CNR2 (0.34) CNR2FPR2FEN1ALOX5AP
SCHEMBL12223906 0.90 CNR2 (0.34) CNR2FEN1ALOX5APCNR1

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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