SCHEMBL7124053

SCHEMBL7124053

COc1ccc(-c2c(-c3ccccc3)c3cc(Cl)cc(Cl)c3oc2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
PTGS2 P35354 1/20 0.46
GPR35 Q9HC97 1/20 0.45
NPC1 O15118 2/20 0.44
CSNK2A2 P19784 1/20 0.44

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
SCHEMBL7123231 0.88 CA1 (0.44) MEN1KMT2ACA1CA2GPR35
SCHEMBL7116282 0.87 CA1 (0.45) CYP19A1MEN1KMT2ACA1CA2
SCHEMBL7123870 0.86 NPC1 (0.56) CYP19A1MEN1KMT2AMAOBCA1
SCHEMBL7164554 0.82 CA1 (0.61) CYP19A1KMT2AMAOBCA1CA2
SCHEMBL3067421 0.80 ERAP1 (0.52) MEN1KMT2ACA1CA2GPR35
SCHEMBL7117105 0.78 CYP19A1 (0.52) CYP19A1MEN1KMT2AMAOBCA1
SCHEMBL7160932 0.78 NPC1 (0.46) MEN1KMT2ACA1CA2NPC1
SCHEMBL7120550 0.78 CYP19A1 (0.72) CYP19A1MEN1KMT2AMAOBCA1
SCHEMBL7117813 0.76 ALDH1A1 (0.64) CYP19A1MEN1KMT2AMAOBCA1
SCHEMBL7463411 0.76 MAOB (0.72) MEN1KMT2AMAOBCA1CA2

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