SCHEMBL4035629

SCHEMBL4035629

CCCCCCCCCc1cccc2c(=O)c(O)c(-c3cc(OC)c(OC)cc3OC)oc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.48
PTGS2 P35354 4/20 0.48
ELANE P08246 2/20 0.45
ABCB1 P08183 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FPR1 P21462 1/20 0.42

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 0.86 ABCG2 (0.41) ALOX5ABCB1ABCG2KDM4EALOX15
SCHEMBL4036664 0.86 ABCG2 (0.41) ALOX5ABCB1ABCG2KDM4EALOX15
SCHEMBL13654300 0.85 ABCG2 (0.41) ALOX5PTGS2ABCB1ABCG2KDM4E
SCHEMBL13648770 0.85 BID (0.43) ALOX5PTGS2ELANEABCB1PPARA
SCHEMBL4039513 0.81 ABCG2 (0.46) ELANEABCB1ABCG2KDM4EALOX15
SCHEMBL4033956 0.81 ABCB1 (0.44) ALOX5ABCB1ABCG2PPARAKDM4E
SCHEMBL13648962 0.79 ABCG2 (0.52) ABCB1ABCG2KDM4EALOX15TSHR
SCHEMBL7375720 0.74 KDM4E (0.46) ALOX5PTGS2ELANEABCB1ABCG2
SCHEMBL21446879 0.72 KDM4E (0.75) ABCB1ABCG2KDM4EALOX15TSHR
SCHEMBL28584157 0.69 ALOX5 (0.97) ALOX5PTGS2ELANEPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066286-B1 HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-04-29 EP claimed
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
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
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