SCHEMBL7124600

SCHEMBL7124600

COc1cc2oc(-c3ccc(OC(C)=O)c(OC(C)=O)c3)cc(=O)c2c(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.76
KMT2A Q03164 4/20 0.76
ABCB1 P08183 2/20 0.76
TP53 P04637 1/20 0.76
MDM2 Q00987 1/20 0.76
ABCG2 Q9UNQ0 1/20 0.76
CYP1A1 P04798 2/20 0.71
CYP1B1 Q16678 2/20 0.71
KDM4E B2RXH2 2/20 0.69
CYP3A4 P08684 2/20 0.69
MAPK1 P28482 2/20 0.69
HSD17B10 Q99714 2/20 0.69
MAPT P10636 1/20 0.69
ALOX12 P18054 1/20 0.69
CASP1 P29466 1/20 0.69
CASP7 P55210 1/20 0.69
CYP1A2 P05177 1/20 0.66
OPRD1 P41143 1/20 0.66
ALDH1A1 P00352 2/20 0.65
CYP2C9 P11712 1/20 0.63

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
SCHEMBL9241994 0.87 ALDH1A1 (0.77) MEN1KMT2AABCB1TP53MDM2
Sinensetin SCHEMBL29700880 0.86 ABCB1 (1.00) MEN1KMT2AABCB1TP53MDM2
Sinensetin SCHEMBL29549544 0.86 ABCB1 (1.00) MEN1KMT2AABCB1TP53MDM2
Sinensetin SCHEMBL621101 0.86 ABCB1 (1.00) MEN1KMT2AABCB1TP53MDM2
SCHEMBL1764630 0.83 CYP1A1 (1.00) MEN1KMT2AABCB1TP53MDM2
SCHEMBL30082755 0.83 CYP1A1 (1.00) MEN1KMT2AABCB1TP53MDM2
SCHEMBL10031342 0.83 CYP1A1 (0.81) MEN1KMT2AABCB1TP53MDM2
Sinensetin SCHEMBL7020909 0.82 CYP1B1 (0.95) MEN1KMT2AABCB1TP53MDM2
SCHEMBL974333 0.82 ABCB1 (0.68) MEN1KMT2AABCB1TP53MDM2
SCHEMBL6725835 0.82 KDM4E (1.00) MEN1KMT2AKDM4ECYP3A4MAPK1

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 10 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
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
EP-1223928-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS Prendergast, Patrick Thomas (IE) 2002-07-24 EP disclosed
WO-2001003681-A3 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2002-05-10 WO disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed
WO-2001003681-A2 USE OF FLAVONES, COUMARINS AND RELATED COMPOUNDS TO TREAT INFECTIONS PRENDERGAST PATRICK T (IE) 2001-01-18 WO disclosed