SCHEMBL4033956

SCHEMBL4033956

CCCCCCCCCc1cccc2c(=O)c(O)c(-c3cc(O)c(O)c(O)c3)oc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.44
MEN1 O00255 2/20 0.43
RECQL P46063 2/20 0.43
KMT2A Q03164 2/20 0.43
CD38 P28907 1/20 0.43
ABCC1 P33527 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BID P55957 3/20 0.41
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 2/20 0.41
BAK1 Q16611 2/20 0.41
KAT8 Q9H7Z6 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
ALOX5 P09917 5/20 0.41

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
SCHEMBL13648770 0.88 BID (0.43) ABCB1BIDMCL1BCL2L1BAK1
SCHEMBL4035629 0.81 ALOX5 (0.48) ABCB1PPARAALOX5ABCG2KDM4E
SCHEMBL2603356 0.79 MEN1 (0.48) ABCB1MEN1RECQLKMT2ACD38
SCHEMBL4034130 0.78 MEN1 (0.50) ABCB1MEN1RECQLKMT2ACD38
SCHEMBL4034075 0.76 MEN1 (0.60) ABCB1MEN1RECQLKMT2ACD38
SCHEMBL4043863 0.76 MEN1 (0.60) ABCB1MEN1RECQLKMT2ACD38
SCHEMBL12639915 0.76 MEN1 (0.60) ABCB1MEN1RECQLKMT2ACD38
SCHEMBL13648970 0.76 MEN1 (0.60) ABCB1MEN1RECQLKMT2ACD38
SCHEMBL4043879 0.76 MEN1 (0.60) ABCB1MEN1RECQLKMT2ACD38
SCHEMBL4035228 0.76 ABCB1 (0.58) ABCB1MEN1RECQLKMT2ACD38

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 5 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
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