SCHEMBL8429280

SCHEMBL8429280

COCC(C)c1ccc(-c2cc(=O)c3c(O)cc(OCC(O)CO)cc3o2)cc1OCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.51
EGFR P00533 1/20 0.46
RET P07949 1/20 0.46
KDR P35968 1/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
CYP1B1 Q16678 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ABCC1 P33527 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
QPCT Q16769 1/20 0.44
PLG P00747 1/20 0.43

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
SCHEMBL8431085 0.94 POLB (0.45) XDHMAOBMAOAMEN1ALDH1A1
SCHEMBL8308746 0.88 PLG (0.52) XDHEGFRRETKDRMAOB
SCHEMBL8309077 0.88 PLG (0.52) XDHEGFRRETKDRMAOB
SCHEMBL8306319 0.88 PLG (0.52) XDHEGFRRETKDRMAOB
SCHEMBL8431111 0.88 CYP1B1 (0.57) XDHEGFRRETKDRMAOB
SCHEMBL8570735 0.87 XDH (0.58) XDHEGFRRETKDRCYP1B1
SCHEMBL8309778 0.82 POLH (0.50) XDHMAOBMAOACYP1B1CYP1A1
SCHEMBL8306291 0.81 CYP1B1 (0.68) XDHMAOBMAOACYP1B1MEN1
SCHEMBL8309435 0.80 PLG (0.48) EGFRRETKDRMAOBMAOA
SCHEMBL4574696 0.80 CYP1B1 (0.64) XDHMAOBMAOACYP1B1MEN1

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
EP-0803503-B1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR (FR) 1999-11-03 EP disclosed
EP-0803503-A1 Acids and esters of diosmetin and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-10-29 EP disclosed