SCHEMBL8304767

SCHEMBL8304767

C=CCOc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 6/20 0.76
CYP1A1 P04798 5/20 0.72
CYP1A2 P05177 5/20 0.72
MEN1 O00255 4/20 0.72
ALDH1A1 P00352 4/20 0.72
MAPT P10636 4/20 0.72
KMT2A Q03164 4/20 0.72
ABCC1 P33527 3/20 0.72
POLB P06746 2/20 0.72
IP6K2 Q9UHH9 4/20 0.69
HDAC6 Q9UBN7 4/20 0.69
XDH P47989 3/20 0.69
IPMK Q8NFU5 3/20 0.69
KDM1A O60341 1/20 0.69
MAOA P21397 7/20 0.62
AKR1B1 P15121 3/20 0.62
MAPK8 P45983 1/20 0.62
MAOB P27338 7/20 0.59
LMNA P02545 3/20 0.59
TP53 P04637 3/20 0.59

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
SCHEMBL8304836 0.94 CYP1B1 (0.66) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL8429084 0.89 CYP1B1 (0.59) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL8306488 0.88 MAPT (0.64) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL30365934 0.87 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL29883103 0.87 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL2483636 0.87 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL4575435 0.87 CYP1B1 (0.71) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL7318625 0.86 CYP1B1 (0.56) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
SCHEMBL8429585 0.86 CYP1B1 (0.56) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1
Chrysoeriol SCHEMBL293757 0.85 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2MEN1ALDH1A1

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 6 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-0803503-B1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR (FR) 1999-11-03 EP disclosed
US-5792789-A TREATING HYPERPERMEABILITY AND INFLAMMATION ADIR ET COMPAGNIE (FR) 1998-08-11 US disclosed
EP-0803503-A1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 EP disclosed
US-5629339-A CHRONIC VENOUS INSUFFICIENCY ADIR ET COMPAGNIE (FR) 1997-05-13 US disclosed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed