SCHEMBL8308046

SCHEMBL8308046

C=CCOc1cc(O)c2c(=O)cc(-c3ccc(OC)c(O)c3CC=C)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.52
MAOA P21397 5/20 0.52
CYP1B1 Q16678 4/20 0.48
IP6K2 Q9UHH9 3/20 0.48
CYP1A1 P04798 3/20 0.48
CYP1A2 P05177 3/20 0.48
ABCC1 P33527 2/20 0.48
KDM1A O60341 1/20 0.48
XDH P47989 1/20 0.48
IPMK Q8NFU5 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
AKR1B1 P15121 1/20 0.47
MAPK8 P45983 1/20 0.47
FLT3 P36888 2/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP19A1 P11511 1/20 0.46
QPCT Q16769 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
MAPT P10636 3/20 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
SCHEMBL8429592 0.90 XDH (0.52) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL8309333 0.89 CYP1B1 (0.57) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL8305036 0.89 MAPT (0.59) MAOACYP1B1IP6K2CYP1A1CYP1A2
SCHEMBL8305322 0.88 CYP1B1 (0.43) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL8859506 0.88 CYP1B1 (0.43) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL8305652 0.88 CYP1B1 (0.43) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL8429201 0.87 KDM4E (0.51) CYP1A2MAPTALDH1A1PPARGPOLB
SCHEMBL8306988 0.86 CYP1B1 (0.42) MAOBMAOACYP1B1IP6K2CYP1A1
SCHEMBL8307482 0.84 AKT1 (0.56) CYP1B1CYP1A1CYP1A2HDAC6FLT3
SCHEMBL8427185 0.83 POLB (0.47) MAOBMAOACYP1A2XDHFLT3

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 3 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
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