SCHEMBL8431111

SCHEMBL8431111

COc1ccc(-c2cc(=O)c3c(O)cc(OCC(O)CO)cc3o2)cc1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.57
XDH P47989 2/20 0.55
PPARG P37231 1/20 0.53
CYP1A1 P04798 4/20 0.52
CYP1A2 P05177 4/20 0.52
IP6K2 Q9UHH9 3/20 0.52
MAPT P10636 3/20 0.52
ABCC1 P33527 2/20 0.52
KDM1A O60341 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
IPMK Q8NFU5 1/20 0.52
POLB P06746 1/20 0.52
EPHX2 P34913 1/20 0.51
PLG P00747 1/20 0.49
FLT3 P36888 2/20 0.48
MAOB P27338 2/20 0.48
MKNK2 Q9HBH9 1/20 0.48

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 0.93 CYP1B1 (0.64) CYP1B1XDHPPARGCYP1A1CYP1A2
SCHEMBL8306291 0.92 CYP1B1 (0.68) CYP1B1XDHPPARGCYP1A1CYP1A2
SCHEMBL8570735 0.91 XDH (0.58) CYP1B1XDHCYP1A1CYP1A2MAPT
SCHEMBL8305042 0.89 CYP1B1 (0.58) CYP1B1XDHCYP1A1CYP1A2IP6K2
SCHEMBL8304881 0.88 CYP1B1 (0.68) CYP1B1XDHCYP1A1CYP1A2IP6K2
SCHEMBL4575616 0.88 CYP1B1 (0.68) CYP1B1XDHCYP1A1CYP1A2IP6K2
SCHEMBL4575622 0.88 CYP1B1 (0.68) CYP1B1XDHCYP1A1CYP1A2IP6K2
SCHEMBL8429280 0.88 XDH (0.51) CYP1B1XDHCYP1A1CYP1A2MAPT
SCHEMBL4575595 0.87 CYP1B1 (0.73) CYP1B1XDHCYP1A1CYP1A2IP6K2
SCHEMBL8304688 0.87 CYP1B1 (0.56) CYP1B1XDHPPARGCYP1A1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0803503-B1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR (FR) 1999-11-03 EP disclosed