SCHEMBL8570735

SCHEMBL8570735

O=C(O)COc1cc(-c2cc(=O)c3c(O)cc(OCC(O)CO)cc3o2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.58
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
ABCC1 P33527 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1B1 Q16678 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
EGFR P00533 1/20 0.48
RET P07949 1/20 0.48
KDR P35968 1/20 0.48
ABCB1 P08183 1/20 0.48
KDM5A P29375 1/20 0.48
PLG P00747 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL8431111 0.91 CYP1B1 (0.57) XDHMAPTMEN1ALDH1A1CYP1A1
SCHEMBL8429280 0.87 XDH (0.51) XDHMAPTMEN1ALDH1A1CYP1A1
SCHEMBL8306291 0.83 CYP1B1 (0.68) XDHMAPTMEN1ALDH1A1CYP1A1
SCHEMBL2904346 0.83 XDH (0.72) XDHMAPTCYP1B1NPSR1EGFR
SCHEMBL4574696 0.83 CYP1B1 (0.64) XDHMAPTMEN1ALDH1A1CYP1A1
SCHEMBL8304881 0.82 CYP1B1 (0.68) XDHMAPTMEN1ALDH1A1CYP1A1
SCHEMBL4575616 0.82 CYP1B1 (0.68) XDHMAPTMEN1ALDH1A1CYP1A1
SCHEMBL4575622 0.82 CYP1B1 (0.68) XDHMAPTMEN1ALDH1A1CYP1A1
SCHEMBL8431085 0.80 POLB (0.45) XDHMAPTMEN1ALDH1A1CYP1A2
SCHEMBL8304688 0.79 CYP1B1 (0.56) XDHMAPTMEN1ALDH1A1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792789-A TREATING HYPERPERMEABILITY AND INFLAMMATION ADIR ET COMPAGNIE (FR) 1998-08-11 US disclosed
EP-0803503-A1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 EP disclosed