SCHEMBL5797229

SCHEMBL5797229

CCCCCCCCCc1ccc(CCNC2CCC(C(=O)O)(C(=O)OCC)CC2)c(F)c1F.CCCCCCCCCc1ccc(CNC2CCC(C(=O)O)(C(=O)O)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.34
CNR1 P21554 6/20 0.34
KDM4E B2RXH2 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4288412 0.95 CNR2 (0.36) CNR2CNR1KDM4ECHRM2CHRM5
SCHEMBL4288421 0.95 CNR2 (0.36) CNR2CNR1KDM4ECHRM2CHRM5
SCHEMBL4287270 0.91 CNR2 (0.38) CNR2CNR1KDM4ECHRM2CHRM5
SCHEMBL4287290 0.91 CNR2 (0.38) CNR2CNR1KDM4ECHRM2CHRM5
SCHEMBL4288625 0.91 CNR2 (0.38) CNR2CNR1KDM4EALDH1A1
SCHEMBL4294299 0.90 CNR2 (0.35) CNR2CNR1KDM4EALDH1A1
SCHEMBL4287098 0.90 CNR2 (0.35) CNR2CNR1KDM4ECHRM2CHRM5
SCHEMBL5797225 0.89 CNR2 (0.32) CNR2CNR1KDM4EALDH1A1
SCHEMBL4290758 0.89 SPHK1 (0.39) CNR2CNR1SPHK1
SCHEMBL4287385 0.89 SPHK1 (0.39) CNR2CNR1SPHK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO claimed
WO-2006043149-A9 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET SOC CIV (FR) 2006-08-10 WO disclosed
WO-2006043149-A2 NOVEL DICARBOXYLIC ACID DERIVATIVES BIOPROJET (FR) 2006-04-27 WO disclosed