SCHEMBL7124657

SCHEMBL7124657

COc1ccc(-c2c(C)c3cc(Cl)ccc3oc2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.64
CA2 P00918 5/20 0.64
CA12 O43570 1/20 0.64
CA3 P07451 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
CA5A P35218 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA13 Q8N1Q1 1/20 0.64
CA14 Q9ULX7 1/20 0.64
CA5B Q9Y2D0 1/20 0.64
NPC1 O15118 2/20 0.62
GABRP O00591 1/20 0.61
GABRD O14764 1/20 0.61
GABRA1 P14867 1/20 0.61
GABRB1 P18505 1/20 0.61
GABRG2 P18507 1/20 0.61
KCNA5 P22460 1/20 0.61
GABRB3 P28472 1/20 0.61

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
SCHEMBL6688526 0.89 NPC1 (0.67) CA1CA2NPC1MAOBKDM4E
SCHEMBL7124859 0.89 CA1 (0.56) CA1CA2CA12CA3CA4
SCHEMBL7123274 0.88 CA1 (0.65) CA1CA2CA12CA3CA4
SCHEMBL7123859 0.86 MAOB (0.76) CA1CA2CA12CA3CA4
SCHEMBL7164554 0.85 CA1 (0.61) CA1CA2CA12CA3CA4
SCHEMBL4267946 0.84 NPC1 (0.81) NPC1MAOBKDM4EMAPTALDH1A1
SCHEMBL7157591 0.84 NPC1 (0.69) CA1CA2NPC1MAOBKDM4E
SCHEMBL7121726 0.84 NPC1 (0.62) CA1CA2CA12CA3CA4
SCHEMBL5424524 0.84 ERAP1 (0.56) CA1CA2CA12CA3CA4
SCHEMBL7123285 0.83 NPC1 (0.64) CA1CA2CA12CA3CA4

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