SCHEMBL7120515

SCHEMBL7120515

COc1cc(OC)cc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.71
MAOA P21397 3/20 0.62
AMY1A P0DUB6 2/20 0.60
PIM1 P11309 2/20 0.60
CD38 P28907 2/20 0.60
MAPT P10636 4/20 0.60
KDM4E B2RXH2 3/20 0.60
CYP3A4 P08684 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
IPMK Q8NFU5 3/20 0.60
IP6K2 Q9UHH9 3/20 0.60
LMNA P02545 2/20 0.60
APP P05067 2/20 0.60
AKR1B1 P15121 2/20 0.60
RECQL P46063 2/20 0.60
ELAVL3 Q14576 2/20 0.60
HSD17B10 Q99714 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
THRB P10828 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
SCHEMBL9665640 0.88 MAOA (0.74) MAPK8MAOAAMY1APIM1CD38
SCHEMBL28316302 0.86 MAPT (0.63) MAPK8MAOAAMY1APIM1CD38
SCHEMBL25926916 0.84 MAPK8 (1.00) MAPK8MAOAAMY1APIM1CD38
SCHEMBL4147950 0.83 ABCG2 (0.81) MAOAMAPTKDM4ECYP3A4MEN1
SCHEMBL12640013 0.83 KDM4E (0.79) MAPK8MAOAAMY1APIM1CD38
SCHEMBL31126017 0.82 MAOA (0.64) MAOAMAPTKDM4ECYP3A4MEN1
Quercetagetin SCHEMBL7647221 0.80 AMY1A (0.89) MAPK8MAOAAMY1APIM1CD38
Betuletol SCHEMBL29400938 0.77 TUBB4A (0.86) MAOAMAPTKDM4ECYP3A4MEN1
SCHEMBL6563621 0.77 TUBB4A (0.86) MAOAMAPTKDM4ECYP3A4RECQL
SCHEMBL29059631 0.77 TUBB4A (0.77) MAPK8MAOAMAPTMEN1KMT2A

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