SCHEMBL7122385

SCHEMBL7122385

COc1ccc2oc(=O)c(-c3ccc(Cl)cc3)cc2c1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.85
CA1 P00915 1/20 0.85
CA2 P00918 1/20 0.85
ACHE P22303 1/20 0.62
XDH P47989 1/20 0.62
GAPDH P04406 2/20 0.60
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 1/20 0.59
THRB P10828 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
TP53 P04637 1/20 0.58

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
SCHEMBL7124497 0.91 MAOB (0.86) MAOBCA1CA2ACHEXDH
SCHEMBL7120318 0.89 NPC1 (0.75) MAOBCA1CA2ACHEKMT2A
SCHEMBL7117976 0.86 MAOB (0.78) MAOBCA1CA2ACHEXDH
SCHEMBL22132856 0.86 MAOB (0.78) MAOBCA1CA2ACHEXDH
SCHEMBL7123257 0.86 NPC1 (0.79) MAOBCA1CA2ACHEGAPDH
SCHEMBL29427489 0.84 MAPT (0.67) MAOBCA1CA2KDM4EKMT2A
SCHEMBL5940938 0.84 MAPT (0.67) MAOBCA1CA2KDM4EKMT2A
SCHEMBL22132869 0.83 MAOB (1.00) MAOBCA1CA2ACHEXDH
SCHEMBL22132870 0.82 MAOB (0.82) MAOBCA1CA2ACHEGAPDH
SCHEMBL17857190 0.82 MAOB (1.00) MAOBCA1CA2XDHTHRB

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