SCHEMBL4036191

SCHEMBL4036191

CCCCCCCCc1ccc2c(=O)c(OCc3ccccc3)c(-c3cc(OC)c(OC)c(OC)c3)oc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.49
CNR1 P21554 4/20 0.48
CNR2 P34972 4/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
GPR55 Q9Y2T6 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX5 P09917 11/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL13648968 1.00 PPARG (0.49) PPARGCNR1CNR2KDM4EALDH1A1
SCHEMBL4034678 1.00 PPARG (0.49) PPARGCNR1CNR2KDM4EALDH1A1
SCHEMBL4039498 0.97 PPARG (0.50) PPARGCNR1CNR2KDM4EALDH1A1
SCHEMBL4035989 0.97 PPARG (0.50) PPARGCNR1CNR2KDM4EALDH1A1
SCHEMBL3340894 0.97 PPARG (0.50) PPARGCNR1CNR2KDM4EALDH1A1
SCHEMBL4042000 0.96 PPARG (0.51) PPARGCNR1CNR2KDM4EALDH1A1
SCHEMBL13654240 0.90 ALOX5 (0.51) ABCG2ALOX5
SCHEMBL13654327 0.90 ALOX5 (0.51) ABCG2ALOX5
SCHEMBL13654297 0.90 ALOX5 (0.51) ABCG2ALOX5
SCHEMBL4034328 0.89 PPARG (0.49) PPARGKDM4EALDH1A1HPGDMEN1

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