SCHEMBL7124557

SCHEMBL7124557

COc1ccc2c(=O)cc(-c3cccc(O)c3)oc2c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.80
ALDH1A1 P00352 5/20 0.80
HPGD P15428 5/20 0.80
KDM4E B2RXH2 4/20 0.80
MAPK1 P28482 3/20 0.80
HSD17B10 Q99714 2/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
RECQL P46063 2/20 0.80
USP2 O75604 1/20 0.80
MEN1 O00255 6/20 0.75
KMT2A Q03164 6/20 0.75
CYP2C9 P11712 5/20 0.75
TNKS O95271 4/20 0.75
TNKS2 Q9H2K2 3/20 0.75
PARP1 P09874 2/20 0.75
TP53 P04637 5/20 0.74
MAPT P10636 5/20 0.74
CYP2C19 P33261 4/20 0.74
CYP2D6 P10635 2/20 0.74
CYP19A1 P11511 2/20 0.73

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
SCHEMBL4650072 0.91 CYP3A4 (0.82) CYP3A4ALDH1A1HPGDKDM4EMAPK1
7,3'-Dimethoxyflavone SCHEMBL718068 0.89 KDM4E (1.00) CYP3A4ALDH1A1HPGDKDM4EMAPK1
SCHEMBL31675776 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1HPGDKDM4EMAPK1
SCHEMBL3135989 0.86 CYP3A4 (1.00) CYP3A4ALDH1A1HPGDKDM4EMAPK1
SCHEMBL312254 0.85 CYP3A4 (1.00) CYP3A4ALDH1A1HPGDKDM4EMAPK1
SCHEMBL30266579 0.85 CYP3A4 (1.00) CYP3A4ALDH1A1HPGDKDM4EMAPK1
7-Methoxyflavone SCHEMBL1373009 0.85 TNKS (1.00) CYP3A4ALDH1A1HPGDKDM4EMAPK1
SCHEMBL534596 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1HPGDKDM4EMAPK1
SCHEMBL30120666 0.84 CYP3A4 (1.00) CYP3A4ALDH1A1HPGDKDM4EMAPK1
SCHEMBL4649870 0.83 MAPT (1.00) CYP3A4ALDH1A1HPGDKDM4EMAPK1

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
JP-2003504327-A 2003-02-04 JP claimed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP claimed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO claimed
US-6555523-B1 Such as 3',4'-diacetoxy-5,6,7-trimethoxyflavone or naringin in the treatment HIV, picornavirus, and/or respiratory virus CASCADE ESTATES LTD. (MU) 2003-04-29 US disclosed
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed