SCHEMBL7760763

SCHEMBL7760763

O=c1c(-c2ccc(O)cc2)coc2cc3c(cc12)OCO3

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.70
PPARD Q03181 2/20 0.70
PPARA Q07869 2/20 0.70
ALOX15 P16050 2/20 0.68
ALOX12 P18054 1/20 0.68
UGT1A1 P22309 2/20 0.65
UGT1A8 Q9HAW9 1/20 0.65
ALDH2 P05091 9/20 0.65
MAOA P21397 8/20 0.65
MAOB P27338 8/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 4/20 0.65
HDAC6 Q9UBN7 4/20 0.65
HPGD P15428 4/20 0.65
MAPT P10636 4/20 0.65
HSD17B10 Q99714 3/20 0.65
LMNA P02545 3/20 0.65

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
SCHEMBL10564937 0.83 RAB9A (0.72) PPARGPPARDPPARAALOX12MAOA
Pseudobaptogenin SCHEMBL73016 0.83 PPARG (1.00) PPARGPPARDPPARAALOX15ALOX12
SCHEMBL10562034 0.81 PPARG (0.75) PPARGPPARDPPARAALOX15ALOX12
SCHEMBL73999 0.81 ALOX12 (1.00) PPARGPPARDPPARAALOX15ALOX12
SCHEMBL29772934 0.81 ALOX12 (1.00) PPARGPPARDPPARAALOX15ALOX12
SCHEMBL19554121 0.81 PPARG (0.53) PPARGPPARDPPARAALOX15ALOX12
Daidzein SCHEMBL19814 0.79 KDM4E (1.00) PPARGPPARDPPARAALOX15ALOX12
Daidzein SCHEMBL21114371 0.79 KDM4E (1.00) PPARGPPARDPPARAALOX15ALOX12
Daidzein SCHEMBL29374778 0.79 KDM4E (1.00) PPARGPPARDPPARAALOX15ALOX12
SCHEMBL12073700 0.79 UGT1A1 (1.00) PPARGPPARDPPARAALOX15ALOX12

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
EP-1096929-A1 THERAPEUTIC COMPOSITION BASED ON FLAVONOIDS FOR USE IN THE TREATMENT OF TUMOURS WITH CYTOTOXIC AGENTS LABORATOIRE L. LAFON (FR) 2001-05-09 EP disclosed
WO-2000003707-A1 THERAPEUTIC COMPOSITION BASED ON FLAVONOIDS FOR USE IN THE TREATMENT OF TUMOURS WITH CYTOTOXIC AGENTS LABORATOIRE L. LAFON (FR) 2000-01-27 WO disclosed
US-4814346-A Benzopyrans and use thereof in treating vascular diseases ZYMA SA (CH) 1989-03-21 US disclosed
EP-0267155-A2 Bicyclic compounds Zyma SA (CH) 1988-05-11 EP disclosed