SCHEMBL12836496

SCHEMBL12836496

CCCC(O)c1ccc(OCC2CCC(c3ccc(-c4ccc(C5CO5)c(F)c4F)cc3F)CC2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 3/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ FEN1 P39748 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ DGAT1 O75907 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
SCHEMBL11939142 0.93 FFAR4 (0.35) FPR2FFAR4CNR2FEN1SCN9A
SCHEMBL12836495 0.91 CNR2 (0.33) FPR2CNR2FEN1
SCHEMBL12836038 0.91 CNR2 (0.33) FPR2CNR2FEN1
SCHEMBL12836501 0.90 FFAR4 (0.34) FPR2FFAR4CNR2FEN1DGAT1
SCHEMBL12907786 0.89 CNR2 (0.35) FPR2CNR2FEN1SCN9A
SCHEMBL11938847 0.87 FPR2 (0.36) FPR2FFAR4FEN1DGAT1
SCHEMBL12836500 0.87 FPR2 (0.31) FPR2CNR2
SCHEMBL12994811 0.87 CNR2 (0.34) FPR2CNR2SCN9A
SCHEMBL10091417 0.86 FFAR1 (0.33) FFAR4FEN1
SCHEMBL12821168 0.86 PDE4B (0.33) FPR2CNR2FEN1

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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