SCHEMBL72628

SCHEMBL72628

O=c1c(-c2ccc(O)c(O)c2O)coc2cc(O)ccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
ALDH1A1 P00352 9/20 0.70
HPGD P15428 8/20 0.70
HSD17B10 Q99714 8/20 0.70
MAPT P10636 5/20 0.70
TDP1 Q9NUW8 2/20 0.70
ALOX15 P16050 1/20 0.70
RECQL P46063 1/20 0.70
MIF P14174 1/20 0.66
XDH P47989 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
POLB P06746 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
CYP3A4 P08684 4/20 0.64
TP53 P04637 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
MAOA P21397 2/20 0.64

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
SCHEMBL31134786 0.88 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL29737520 0.88 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL72610 0.88 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10MAPT
Koparin SCHEMBL29477154 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10MAPT
Koparin SCHEMBL5723673 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL232753 0.82 KDM4E (0.74) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL27869009 0.81 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL29929481 0.81 XDH (0.76) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL555129 0.81 XDH (0.76) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL16431730 0.79 MAPT (0.76) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129592-B2 Plant isoflavonoid hydroxylases and methods of use thereof THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2012-03-06 US disclosed
US-20090142471-A1 PLANT ISOFLAVONOID HYDROXYLASES AND METHODS OF USE THEREOF NOBLE RESEARCH INSTITUTE, LLC 2009-06-04 US disclosed
EP-1720986-A2 PLANT ISOFLAVONOID HYDROXYLASES AND METHODS OF USE THEREOF THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2006-11-15 EP disclosed
WO-2005042747-A2 PLANT ISOFLAVONOID HYDROXYLASES AND METHODS OF USE THEREOF THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2005-05-12 WO disclosed