SCHEMBL12836054

SCHEMBL12836054

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 10/20 0.36
▸ FPR2 P25090 3/20 0.33
▸ FEN1 P39748 3/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ PDE4B Q07343 1/20 0.32
▸ SSTR5 P35346 1/20 0.31
▸ KCNH2 Q12809 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
SCHEMBL12836512 1.00 CNR2 (0.36) CNR2FPR2FEN1ALOX5APPDE4B
SCHEMBL12222857 0.97 CNR2 (0.34) CNR2FPR2FEN1ALOX5APPDE4B
SCHEMBL12836038 0.93 CNR2 (0.33) CNR2FPR2FEN1ALOX5AP
SCHEMBL12836495 0.93 CNR2 (0.33) CNR2FPR2FEN1ALOX5AP
SCHEMBL11939058 0.92 CNR2 (0.39) CNR2FEN1ALOX5APSSTR5KCNH2
SCHEMBL11939167 0.92 CNR2 (0.39) CNR2FEN1ALOX5APSSTR5KCNH2
SCHEMBL12836034 0.90 FEN1 (0.34) CNR2FPR2FEN1ALOX5AP
SCHEMBL12836492 0.90 FEN1 (0.34) CNR2FPR2FEN1ALOX5AP
SCHEMBL12222880 0.90 GPR119 (0.34) FEN1ALOX5AP
SCHEMBL12223329 0.90 GPR119 (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-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
Send feedback