SCHEMBL8249167

SCHEMBL8249167

O=C1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
BACE1 P56817 6/20 0.54
RECQL P46063 6/20 0.54
GAA P10253 5/20 0.54
HSD17B10 Q99714 5/20 0.54
MAPT P10636 5/20 0.54
PKM P14618 5/20 0.54
POLB P06746 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
CYP3A4 P08684 4/20 0.54
ALOX15 P16050 4/20 0.54
ALDH1A1 P00352 3/20 0.54
APEX1 P27695 3/20 0.54
ALPL P05186 3/20 0.54
MAPK1 P28482 3/20 0.54
SNCA P37840 3/20 0.54
ALPG P10696 2/20 0.54
CA12 O43570 2/20 0.54
HPGD P15428 2/20 0.54

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
SCHEMBL16151244 1.00 KDM4E (0.54) KDM4EBACE1RECQLGAAHSD17B10
SCHEMBL2781922 1.00 KDM4E (0.54) KDM4EBACE1RECQLGAAHSD17B10
SCHEMBL349722 0.89 CYP3A4 (0.52) KDM4EBACE1RECQLGAAHSD17B10
SCHEMBL3487578 0.89 CYP3A4 (0.52) KDM4EBACE1RECQLGAAHSD17B10
SCHEMBL2319151 0.86 CYP19A1 (0.57) HSD17B10MAPTPKMPOLBCYP3A4
SCHEMBL6503937 0.86 CYP19A1 (0.49) KDM4EBACE1RECQLGAAHSD17B10
SCHEMBL15544306 0.86 RECQL (0.56) KDM4EBACE1RECQLGAAHSD17B10
SCHEMBL28616927 0.85 RECQL (0.44) KDM4EBACE1RECQLGAAHSD17B10
SCHEMBL7809366 0.85 CYP19A1 (0.45) KDM4EBACE1RECQLGAAHSD17B10
SCHEMBL29282180 0.85 CYP19A1 (0.45) KDM4EBACE1RECQLGAAHSD17B10

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
WO-2007002877-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2007-01-04 WO disclosed