SCHEMBL12836501

SCHEMBL12836501

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 6/20 0.34
▸ FPR2 P25090 2/20 0.33
▸ FFAR1 O14842 5/20 0.32
▸ GPR119 Q8TDV5 2/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 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
SCHEMBL11939934 0.94 FFAR4 (0.35) FFAR4FPR2FFAR1CNR2ALOX5AP
SCHEMBL11939798 0.91 FFAR4 (0.36) FFAR4FPR2FFAR1GPR119DGAT1
SCHEMBL12836492 0.90 FEN1 (0.34) FPR2CNR2ALOX5APFEN1
SCHEMBL12836034 0.90 FEN1 (0.34) FPR2CNR2ALOX5APFEN1
SCHEMBL12836496 0.90 FPR2 (0.33) FFAR4FPR2DGAT1CNR2FEN1
SCHEMBL12907337 0.88 CNR2 (0.35) FPR2FFAR1CNR2ALOX5APFEN1
SCHEMBL12223313 0.88 ALOX5AP (0.33) FPR2CNR2ALOX5APFEN1
SCHEMBL11942190 0.87 PIM1 (0.33) FFAR4DGAT1ALOX5APFEN1
SCHEMBL12836499 0.86 FPR2 (0.33) FPR2FFAR1CNR2
SCHEMBL10303237 0.86 HTR2A (0.35) FPR2FFAR1GPR119CNR2

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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