SCHEMBL7124497

SCHEMBL7124497

COc1ccc(-c2cc3cc(OC)ccc3oc2=O)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.86
CA1 P00915 1/20 0.79
CA2 P00918 1/20 0.79
XDH P47989 1/20 0.71
ACHE P22303 1/20 0.67
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
GAPDH P04406 2/20 0.66
MEN1 O00255 1/20 0.66
MIF P14174 1/20 0.66
KMT2A Q03164 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
SIRT3 Q9NTG7 1/20 0.66
ERAP1 Q9NZ08 1/20 0.66
THRB P10828 1/20 0.64

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
SCHEMBL7117976 0.91 MAOB (0.78) MAOBCA1CA2XDHACHE
SCHEMBL22132856 0.91 MAOB (0.78) MAOBCA1CA2XDHACHE
SCHEMBL7122385 0.91 MAOB (0.85) MAOBCA1CA2XDHACHE
SCHEMBL7123257 0.91 NPC1 (0.79) MAOBCA1CA2ACHENPC1
SCHEMBL17857190 0.90 MAOB (1.00) MAOBCA1CA2XDHTHRB
SCHEMBL19288867 0.89 MAOB (0.70) MAOBCA1CA2XDHACHE
SCHEMBL22132869 0.88 MAOB (1.00) MAOBCA1CA2XDHACHE
SCHEMBL7116819 0.88 NPC1 (0.83) MAOBCA1CA2XDHACHE
SCHEMBL22132870 0.87 MAOB (0.82) MAOBCA1CA2ACHENPC1
SCHEMBL2535418 0.87 XDH (0.86) MAOBCA1CA2XDHACHE

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 7 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
WO-2020130120-A1 CANCER METASTASIS INHIBITOR 学校法人京都薬科大学 2020-06-25 WO 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