SCHEMBL7127360

SCHEMBL7127360

Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(O)ccc12

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.75
NPC1 O15118 1/20 0.72
ESR1 P03372 7/20 0.67
ESR2 Q92731 5/20 0.67
HSD17B3 P37058 5/20 0.65
CA12 O43570 1/20 0.57
CA9 Q16790 1/20 0.57
MIF P14174 1/20 0.53
NOX4 Q9NPH5 1/20 0.52

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
SCHEMBL5088627 0.91 ERAP1 (0.83) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL7113502 0.86 ERAP1 (0.75) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL7460755 0.86 ERAP1 (0.55) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL1608015 0.86 ERAP1 (1.00) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL8118679 0.84 ERAP1 (0.53) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL5427914 0.84 NPC1 (1.00) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL13486861 0.84 ERAP1 (0.71) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL5424524 0.83 ERAP1 (0.56) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL13713069 0.83 ERAP1 (0.52) ERAP1NPC1ESR1ESR2HSD17B3
SCHEMBL4798266 0.83 ERAP1 (0.75) ERAP1NPC1ESR1ESR2HSD17B3

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