SCHEMBL8309435

SCHEMBL8309435

COC[C@@H](C)c1ccc(-c2cc(=O)c3c(O)cc(OC[C@@H](O)COC(C)=O)cc3o2)cc1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.48
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47
EGFR P00533 1/20 0.47
RET P07949 1/20 0.47
KDR P35968 1/20 0.47
QPCT Q16769 1/20 0.46
FLT3 P36888 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
IP6K2 Q9UHH9 1/20 0.45
CYP19A1 P11511 1/20 0.45

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
SCHEMBL8309077 0.89 PLG (0.52) PLGMAOBMAOAEGFRRET
SCHEMBL8308746 0.89 PLG (0.52) PLGMAOBMAOAEGFRRET
SCHEMBL8306319 0.89 PLG (0.52) PLGMAOBMAOAEGFRRET
SCHEMBL8305421 0.85 MAOB (0.58) PLGMAOBMAOAEGFRRET
SCHEMBL8427199 0.83 EGFR (0.56) EGFRRETKDRQPCT
SCHEMBL8306760 0.83 CYP1B1 (0.64) PLGMAOBMAOAQPCTFLT3
SCHEMBL8309778 0.82 POLH (0.50) MAOBMAOAIP6K2
SCHEMBL8429280 0.80 XDH (0.51) PLGMAOBMAOAEGFRRET
SCHEMBL8431060 0.78 PLG (0.47) PLGMAOBMAOAEGFRRET
SCHEMBL8309769 0.78 PLG (0.47) PLGMAOBMAOAEGFRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709383-B1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-15 EP claimed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP claimed