SCHEMBL8306760

SCHEMBL8306760

COCC(C)c1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.64
CYP1A1 P04798 5/20 0.64
CYP1A2 P05177 5/20 0.64
IP6K2 Q9UHH9 4/20 0.64
XDH P47989 3/20 0.64
IPMK Q8NFU5 3/20 0.64
HDAC6 Q9UBN7 3/20 0.64
ABCC1 P33527 3/20 0.64
KDM1A O60341 1/20 0.64
MEN1 O00255 5/20 0.61
ALDH1A1 P00352 5/20 0.61
MAPT P10636 5/20 0.61
KMT2A Q03164 5/20 0.61
CYP3A4 P08684 4/20 0.61
ABCB1 P08183 4/20 0.61
LMNA P02545 3/20 0.61
TP53 P04637 3/20 0.61
CYP2D6 P10635 3/20 0.61
CYP2C9 P11712 3/20 0.61
MAOA P21397 3/20 0.61

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
SCHEMBL8305421 0.89 MAOB (0.58) IP6K2MAOAMAOBFLT3MKNK2
SCHEMBL8308746 0.86 PLG (0.52) CYP1B1CYP1A1CYP1A2IP6K2XDH
SCHEMBL8306319 0.86 PLG (0.52) CYP1B1CYP1A1CYP1A2IP6K2XDH
SCHEMBL8309077 0.86 PLG (0.52) CYP1B1CYP1A1CYP1A2IP6K2XDH
SCHEMBL8427199 0.84 EGFR (0.56) CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL8309435 0.83 PLG (0.48) IP6K2MAOAMAOBFLT3CYP19A1
SCHEMBL8306911 0.82 PLG (0.47) CYP1B1CYP1A1CYP1A2IP6K2XDH
SCHEMBL8431060 0.82 PLG (0.47) CYP1B1CYP1A1CYP1A2IP6K2XDH
SCHEMBL8309769 0.82 PLG (0.47) CYP1B1CYP1A1CYP1A2IP6K2XDH
SCHEMBL8308176 0.82 AKT1 (0.52) MEN1MAPTKMT2AKDM4EPOLB

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 disclosed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed