SCHEMBL8305042

SCHEMBL8305042

CCCOc1cc(-c2cc(=O)c3c(O)cc(OCC(O)CO)cc3o2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.58
CYP1A1 P04798 2/20 0.53
CYP1A2 P05177 2/20 0.53
ABCC1 P33527 2/20 0.53
KDM1A O60341 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
IP6K2 Q9UHH9 2/20 0.53
XDH P47989 1/20 0.53
IPMK Q8NFU5 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
MAOB P27338 3/20 0.52
MAOA P21397 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
EPHX2 P34913 1/20 0.51
PLG P00747 1/20 0.50
FLT3 P36888 1/20 0.49

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
SCHEMBL4574696 0.94 CYP1B1 (0.64) CYP1B1CYP1A1CYP1A2ABCC1KDM1A
SCHEMBL8306291 0.93 CYP1B1 (0.68) CYP1B1CYP1A1CYP1A2ABCC1KDM1A
SCHEMBL4575616 0.89 CYP1B1 (0.68) CYP1B1CYP1A1CYP1A2ABCC1KDM1A
SCHEMBL8304881 0.89 CYP1B1 (0.68) CYP1B1CYP1A1CYP1A2ABCC1KDM1A
SCHEMBL4575622 0.89 CYP1B1 (0.68) CYP1B1CYP1A1CYP1A2ABCC1KDM1A
SCHEMBL8431111 0.89 CYP1B1 (0.57) CYP1B1CYP1A1CYP1A2ABCC1KDM1A
SCHEMBL4575595 0.88 CYP1B1 (0.73) CYP1B1CYP1A1CYP1A2ABCC1KDM1A
SCHEMBL8304688 0.86 CYP1B1 (0.56) CYP1B1CYP1A1CYP1A2ABCC1KDM1A
SCHEMBL4575135 0.85 CYP1B1 (0.56) CYP1B1CYP1A1CYP1A2ABCC1KDM1A
SCHEMBL8309779 0.85 ABCB1 (0.56) CYP1B1CYP1A1CYP1A2HDAC6MEN1

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