SCHEMBL4649947

SCHEMBL4649947

COc1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.76
KDM4E B2RXH2 3/20 0.76
ALDH1A1 P00352 3/20 0.76
MAPT P10636 2/20 0.76
HPGD P15428 2/20 0.76
HSD17B10 Q99714 2/20 0.76
CYP1A1 P04798 10/20 0.70
CYP1B1 Q16678 10/20 0.70
ABCC1 P33527 4/20 0.70
ABCG2 Q9UNQ0 4/20 0.70
ABCB1 P08183 3/20 0.70
AHR P35869 1/20 0.69
CYP1A2 P05177 7/20 0.66
TSHR P16473 2/20 0.66
CYP2C19 P33261 2/20 0.66
PRKDC P78527 2/20 0.66
CSNK2A2 P19784 2/20 0.65
CSNK2B P67870 2/20 0.65
CSNK2A1 P68400 2/20 0.65
PDE5A O76074 1/20 0.60

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
8,2'-Dimethoxyflavone SCHEMBL516353 0.86 ALDH1A1 (1.00) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL6616218 0.83 CYP3A4 (0.73) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL7374618 0.83 ALDH1A1 (0.82) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL4650074 0.82 ABCG2 (1.00) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL29361605 0.82 ABCG2 (1.00) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL7160712 0.82 AHR (1.00) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL31060597 0.80 CYP1A1 (1.00) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL14708633 0.79 CSNK2A2 (1.00) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL253522 0.79 HPGD (0.78) CYP3A4KDM4EALDH1A1MAPTHPGD
SCHEMBL4650874 0.79 CYP1A1 (1.00) CYP3A4KDM4EALDH1A1MAPTHPGD

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
US-6872771-B1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-03-29 US claimed
EP-2730431-B1 Rubber composition and tire with rubber containing flavone GOODYEAR TIRE & RUBBER (US) 2017-06-28 EP disclosed
EP-2730431-A1 Rubber composition and tire with rubber containing flavone The Goodyear Tire & Rubber Company (US) 2014-05-14 EP disclosed
EP-1391327-B1 Tire with rubber containing flavone GOODYEAR TIRE & RUBBER (US) 2008-09-03 EP disclosed
US-6872771-B1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-03-29 US disclosed
EP-1391327-A1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2004-02-25 EP disclosed
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