Glycitein

Glycitein

SCHEMBL7733712

COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O.COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 1.00
RAB9A P51151 4/20 0.83
KLK7 P49862 1/20 0.83
PPARG P37231 2/20 0.81
PTPN1 P18031 1/20 0.81
ALOX15 P16050 1/20 0.72
ALOX12 P18054 1/20 0.72
KDM4E B2RXH2 6/20 0.70
MAPT P10636 4/20 0.70
NPC1 O15118 3/20 0.70
POLB P06746 2/20 0.70
HMGB1 P09429 1/20 0.70
XDH P47989 1/20 0.67
HSD17B10 Q99714 4/20 0.64
TP53 P04637 3/20 0.64
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MAOA P21397 4/20 0.63
MAOB P27338 4/20 0.63

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
Glycitein SCHEMBL19720 1.00 HDAC6 (1.00) HDAC6RAB9AKLK7PPARGPTPN1
Glycitein SCHEMBL29497281 1.00 HDAC6 (1.00) HDAC6RAB9AKLK7PPARGPTPN1
Glycitein SCHEMBL5483545 0.95 HDAC6 (0.91) HDAC6RAB9AKLK7PPARGPTPN1
SCHEMBL11336575 0.95 HDAC6 (0.90) HDAC6RAB9AKLK7PPARGPTPN1
SCHEMBL11344171 0.92 HDAC6 (0.85) HDAC6RAB9AKLK7PPARGPTPN1
Castanin SCHEMBL572274 0.91 RAB9A (1.00) HDAC6RAB9AKLK7PPARGPTPN1
Glycitein SCHEMBL869704 0.91 HDAC6 (0.83) HDAC6RAB9AKLK7PPARGPTPN1
Glycitein SCHEMBL3928329 0.91 HDAC6 (0.83) HDAC6RAB9AKLK7PPARGPTPN1
Glycitein SCHEMBL6578666 0.91 RAB9A (0.85) HDAC6RAB9AKLK7PPARGPTPN1
Odoratin SCHEMBL1248967 0.90 PTPN1 (1.00) HDAC6RAB9AKLK7PPARGPTPN1

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-1189897-A1 ISOFLAVONE METABOLITES G.J. Consultants Pty Ltd (AU) 2002-03-27 EP disclosed
WO-2000066576-A1 ISOFLAVONE METABOLITES G.J. CONSULTANTS PTY LTD (AU) 2000-11-09 WO disclosed