SCHEMBL8304836

SCHEMBL8304836

C=CCOc1cc(O)c2c(=O)cc(-c3ccc(OC)c(OCC=C)c3)oc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.66
CYP1A1 P04798 4/20 0.63
CYP1A2 P05177 4/20 0.63
ABCC1 P33527 2/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPT P10636 2/20 0.63
KMT2A Q03164 2/20 0.63
POLB P06746 1/20 0.63
MAOB P27338 8/20 0.62
MAOA P21397 5/20 0.62
IP6K2 Q9UHH9 3/20 0.60
HDAC6 Q9UBN7 2/20 0.60
KDM1A O60341 1/20 0.60
XDH P47989 1/20 0.60
IPMK Q8NFU5 1/20 0.60
PLG P00747 1/20 0.56
FLT3 P36888 2/20 0.56
MKNK2 Q9HBH9 1/20 0.56
CYP19A1 P11511 1/20 0.56

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
SCHEMBL8304767 0.94 CYP1B1 (0.76) CYP1B1CYP1A1CYP1A2ABCC1MEN1
SCHEMBL4575435 0.93 CYP1B1 (0.71) CYP1B1CYP1A1CYP1A2ABCC1MEN1
SCHEMBL8429084 0.93 CYP1B1 (0.59) CYP1B1CYP1A1CYP1A2ABCC1MEN1
SCHEMBL8306488 0.92 MAPT (0.64) CYP1B1CYP1A1CYP1A2ABCC1MEN1
SCHEMBL8305990 0.91 MAOB (0.66) CYP1B1CYP1A1CYP1A2ABCC1MEN1
SCHEMBL7318625 0.90 CYP1B1 (0.56) CYP1B1CYP1A1CYP1A2ABCC1MEN1
SCHEMBL8427276 0.89 CYP1B1 (0.56) CYP1B1CYP1A1CYP1A2ABCC1MEN1
SCHEMBL8429585 0.89 CYP1B1 (0.56) CYP1B1CYP1A1CYP1A2ABCC1MEN1
SCHEMBL8304325 0.88 CYP1B1 (0.54) CYP1B1CYP1A1CYP1A2ABCC1MEN1
SCHEMBL8427281 0.86 CYP1B1 (0.54) CYP1B1CYP1A1CYP1A2ABCC1MEN1

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 11 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
US-5629339-A CHRONIC VENOUS INSUFFICIENCY ADIR ET COMPAGNIE (FR) 1997-05-13 US claimed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP claimed
JP-8225563-A None JP disclosed
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
JP-H08225563-A MEW DIOSMETIN COMPOUNDS, PRODUCTION OF THE SAME AND MEDICAMENT COMPOSITION CONTAINING THE SAME ADIR 1996-09-03 JP disclosed
EP-0709383-A1 Diosmetin derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed