SCHEMBL8306763

SCHEMBL8306763

CCCc1c(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc(OC)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.60
CYP1A1 P04798 4/20 0.60
CYP1A2 P05177 4/20 0.60
ABCC1 P33527 3/20 0.60
IP6K2 Q9UHH9 3/20 0.60
XDH P47989 2/20 0.60
IPMK Q8NFU5 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
KDM1A O60341 1/20 0.60
QPCT Q16769 4/20 0.60
MAOA P21397 3/20 0.60
AKR1B1 P15121 2/20 0.60
MAPK8 P45983 1/20 0.60
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 4/20 0.57
POLB P06746 2/20 0.57
BACE1 P56817 2/20 0.57
TYR P14679 1/20 0.57

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
SCHEMBL8305425 0.89 MAOB (0.53) CYP1B1CYP1A1CYP1A2ABCC1IP6K2
SCHEMBL8308179 0.88 HDAC6 (0.51) CYP1B1CYP1A1CYP1A2HDAC6MEN1
SCHEMBL8309333 0.86 CYP1B1 (0.57) CYP1B1CYP1A1CYP1A2ABCC1IP6K2
SCHEMBL8427180 0.86 XDH (0.55) XDHNPSR1
SCHEMBL4575775 0.84 CYP1B1 (0.46) CYP1B1CYP1A1CYP1A2ABCC1IP6K2
SCHEMBL4574734 0.84 CYP1B1 (0.46) CYP1B1CYP1A1CYP1A2ABCC1IP6K2
SCHEMBL4575066 0.84 CYP1B1 (0.46) CYP1B1CYP1A1CYP1A2ABCC1IP6K2
SCHEMBL8427202 0.84 KDM4E (0.54) CYP1A2MAPTALDH1A1POLBCYP3A4
SCHEMBL8305241 0.83 KDM4E (0.52) CYP1B1CYP1A1CYP1A2KDM1ABACE1
SCHEMBL4575957 0.81 PPARG (0.43) CYP1B1CYP1A1CYP1A2ABCC1IP6K2

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