SCHEMBL6535433

SCHEMBL6535433

COc1cc(C=CC(=O)O)ccc1OC(=O)[C@@H](N)CSSCC(N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ PSMB5 P28074 1/20 0.55
▸ AKR1C3 P42330 1/20 0.54
▸ SNCA P37840 2/20 0.54
▸ GRIK1 P39086 1/20 0.50
▸ GRIK2 Q13002 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA3 P07451 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ CSNK2A2 P19784 1/20 0.49
▸ CA4 P22748 1/20 0.49
▸ CA6 P23280 1/20 0.49

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
SCHEMBL6535125 0.84 KDM4E (0.63) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL12538520 0.79 KDM4E (0.73) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL18958893 0.77 HDAC1 (0.53) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL4419202 0.76 KDM4E (0.73) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL10349516 0.76 KDM4E (0.73) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL6535591 0.76 KDM4E (0.51) KDM4EALDH1A1HPGDALOX15MAPK1
SCHEMBL6535571 0.76 KDM4E (0.54) KDM4EALDH1A1HPGDALOX15MAPK1
O,O'-Dimethylcaffeic Acid SCHEMBL81318 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDALOX15MAPK1
O,O'-Dimethylcaffeic Acid SCHEMBL81317 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDALOX15MAPK1
O,O'-Dimethylcaffeic Acid SCHEMBL29636389 0.75 KDM4E (1.00) KDM4EALDH1A1HPGDALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1011702-A4 A METHOD FOR TREATING DIABETES, HYPERGLYCEMIA AND HYPOGLYCEMIA RICEX COMPANY (US) 2004-01-21 — — EP disclosed
US-6126943-A BY INGESTING A STABILIZED RICE BRAN DERIVATIVE. THE RICEX COMPANY (US) 2000-10-03 — — US disclosed
EP-1011702-A1 A METHOD FOR TREATING DIABETES, HYPERGLYCEMIA AND HYPOGLYCEMIA The Ricex Company (US) 2000-06-28 — — EP disclosed
WO-1999011144-A1 A METHOD FOR TREATING HYPERCHOLESTEROLEMIA, HYPERLIPIDEMIA, AND ATHEROSCLEROSIS THE RICEX COMPANY, INC. (US) 1999-03-11 — — WO disclosed
WO-1999010002-A1 A METHOD FOR TREATING DIABETES, HYPERGLYCEMIA AND HYPOGLYCEMIA THE RICEX COMPANY, INC. (US) 1999-03-04 — — WO disclosed
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