SCHEMBL8304672

SCHEMBL8304672

COCC(C)c1ccc(-c2cc(=O)c3c(OC)cc(OCC4=COC(C)(C)O4)cc3o2)cc1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLH Q9Y253 1/20 0.47
KDM1A O60341 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
ABCC1 P33527 1/20 0.43
XDH P47989 1/20 0.43
CYP1B1 Q16678 1/20 0.43
IPMK Q8NFU5 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
PLG P00747 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL8309769 0.94 PLG (0.47) KDM1ACYP1A1CYP1A2ABCC1XDH
SCHEMBL8306911 0.94 PLG (0.47) KDM1ACYP1A1CYP1A2ABCC1XDH
SCHEMBL8431060 0.94 PLG (0.47) KDM1ACYP1A1CYP1A2ABCC1XDH
SCHEMBL8309259 0.85 CYP1B1 (0.56) POLHKDM1ACYP1A1CYP1A2ABCC1
SCHEMBL8309732 0.84
SCHEMBL8304422 0.83 CYP1B1 (0.63) POLHKDM1ACYP1A1CYP1A2ABCC1
SCHEMBL8309092 0.83 ABCB1 (0.52) POLHKDM1ACYP1A1CYP1A2ABCC1
SCHEMBL8431003 0.83 POLB (0.52) CYP1A2
SCHEMBL8427267 0.82 KDM4E (0.46) CYP1A2
SCHEMBL8306264 0.82 CYP1B1 (0.63) KDM1ACYP1A1CYP1A2ABCC1XDH

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