SCHEMBL4034328

SCHEMBL4034328

COc1cc(-c2oc3cc(CCCC(C)C)ccc3c(=O)c2OCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
ABCG2 Q9UNQ0 8/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.41
PDE4D Q08499 1/20 0.40
ABCB1 P08183 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL4039231 0.93 PPARG (0.47) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL4042000 0.91 PPARG (0.51) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL4034526 0.90 PPARG (0.47) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL4034678 0.89 PPARG (0.49) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL13648968 0.89 PPARG (0.49) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL4036191 0.89 PPARG (0.49) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL13654303 0.87 ABCG2 (0.46) ABCG2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4035989 0.86 PPARG (0.50) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL3340894 0.86 PPARG (0.50) PPARGABCG2KDM4EALDH1A1HPGD
SCHEMBL4039498 0.86 PPARG (0.50) PPARGABCG2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
US-7601754-B2 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2009-10-13 US disclosed
EP-1534698-B1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RES INST (GB) 2007-09-19 EP disclosed
US-20060137207-A1 Flavonoid compounds as therapeutic antioxidants ANTOXIS LIMITED (GB) 2006-06-29 US disclosed
EP-1534698-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS The Rowett Research Institute (GB) 2005-06-01 EP disclosed
WO-2004007475-A1 FLAVONOID COMPOUNDS AS THERAPEUTIC ANTIOXIDANTS ROWETT RESEARCH INSTITUTE (GB) 2004-01-22 WO disclosed