SCHEMBL4036664

SCHEMBL4036664

CCCCCCC=CCc1cccc2c(=O)c(O)c(-c3cc(OC)c(OC)cc3OC)oc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.41
ABCB1 P08183 1/20 0.41
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
SLC37A4 O43826 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
MEN1 O00255 3/20 0.38
CYP3A4 P08684 3/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL4036661 1.00 ABCG2 (0.41) ABCG2ABCB1ALOX5KDM4EALOX15
SCHEMBL13654300 0.99 ABCG2 (0.41) ABCG2ABCB1ALOX5KDM4EALOX15
SCHEMBL4035629 0.86 ALOX5 (0.48) ABCG2ABCB1ALOX5KDM4EALOX15
SCHEMBL13648962 0.74 ABCG2 (0.52) ABCG2ABCB1KDM4EALOX15TSHR
SCHEMBL13648770 0.71 BID (0.43) ABCB1ALOX5MAPT
SCHEMBL21446879 0.68 KDM4E (0.75) ABCG2ABCB1KDM4EALOX15TSHR
SCHEMBL4033956 0.68 ABCB1 (0.44) ABCG2ABCB1ALOX5KDM4EALOX15
SCHEMBL8811366 0.63 KDM4E (0.58) ABCG2ABCB1KDM4EALOX15TSHR
SCHEMBL11003163 0.62 F7 (0.56) KDM4EALOX15HSD17B10MAPTEPHX2
SCHEMBL29418275 0.62 F7 (0.56) KDM4EALOX15HSD17B10MAPTEPHX2

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 8 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-2029572-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007143597-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-12-13 WO 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