SCHEMBL8305652

SCHEMBL8305652

C=CCc1c(-c2cc(=O)c3c(O)cc(OC[C@H](O)CO)cc3o2)ccc(OC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 4/20 0.43
IP6K2 Q9UHH9 3/20 0.43
CYP1A1 P04798 3/20 0.43
CYP1A2 P05177 3/20 0.43
KDM1A O60341 2/20 0.43
ABCC1 P33527 2/20 0.43
XDH P47989 1/20 0.43
IPMK Q8NFU5 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAOA P21397 2/20 0.43
AKR1B1 P15121 1/20 0.43
MAPK8 P45983 1/20 0.43
PPARG P37231 1/20 0.42
FLT3 P36888 2/20 0.42
MAOB P27338 2/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CYP19A1 P11511 1/20 0.42
QPCT Q16769 1/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 4/20 0.41

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
SCHEMBL8859506 1.00 CYP1B1 (0.43) CYP1B1IP6K2CYP1A1CYP1A2KDM1A
SCHEMBL8305322 1.00 CYP1B1 (0.43) CYP1B1IP6K2CYP1A1CYP1A2KDM1A
SCHEMBL4575066 0.89 CYP1B1 (0.46) CYP1B1IP6K2CYP1A1CYP1A2KDM1A
SCHEMBL4575775 0.89 CYP1B1 (0.46) CYP1B1IP6K2CYP1A1CYP1A2KDM1A
SCHEMBL4574734 0.89 CYP1B1 (0.46) CYP1B1IP6K2CYP1A1CYP1A2KDM1A
SCHEMBL8305275 0.88 AKT1 (0.42) CYP1B1CYP1A1CYP1A2HDAC6FLT3
SCHEMBL8308046 0.88 MAOB (0.52) CYP1B1IP6K2CYP1A1CYP1A2KDM1A
SCHEMBL8431286 0.87 KDM4E (0.40) CYP1A2XDHMAOAPPARGMAOB
SCHEMBL8429592 0.85 XDH (0.52) CYP1B1IP6K2CYP1A1CYP1A2KDM1A
SCHEMBL8309333 0.85 CYP1B1 (0.57) CYP1B1IP6K2CYP1A1CYP1A2KDM1A

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