SCHEMBL6810540

SCHEMBL6810540

O=C1NC(=O)C(CCO)(c2ccc(Oc3ccccc3)cc2)C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 18/20 1.00
▸ MMP9 P14780 18/20 1.00
▸ MMP3 P08254 5/20 0.67
▸ MMP13 P45452 3/20 0.67
▸ MMP8 P22894 2/20 0.67

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
SCHEMBL7646070 0.86 MMP9 (0.74) MMP2MMP9MMP3MMP13MMP8
SCHEMBL7383539 0.82 MMP2 (0.70) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6813840 0.81 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6446699 0.76 MMP2 (0.66) MMP2MMP9MMP3MMP13MMP8
SCHEMBL6814140 0.76 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP8
SCHEMBL14788892 0.74 MMP9 (0.72) MMP2MMP9MMP3MMP13MMP8
SCHEMBL4321603 0.73 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP8
Phenobarbital SCHEMBL11529160 0.68 MMP9 (0.73) MMP2MMP9MMP3MMP13MMP8
SCHEMBL10903887 0.68 MMP9 (0.55) MMP2MMP9MMP3MMP13MMP8
SCHEMBL11143027 0.68 MMP9 (0.68) MMP2MMP9MMP3MMP13MMP8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153015-B1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES HOFFMANN LA ROCHE (CH) 2004-09-29 — — EP claimed
EP-1153015-A1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-14 — — EP claimed
US-6265578-B1 MATRIX METALLOPROTEASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-07-24 — — US claimed
WO-2000047565-A1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-08-17 — — WO claimed
EP-1153015-B1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES HOFFMANN LA ROCHE (CH) 2004-09-29 — — EP disclosed
EP-1153015-A1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-14 — — EP disclosed
US-6265578-B1 MATRIX METALLOPROTEASE INHIBITORS HOFFMANN-LA ROCHE INC. 2001-07-24 — — US disclosed
WO-2000047565-A1 PYRIMIDINE-2,4,6-TRIONES AS INHIBITORS OF MATRIX METALLOPROTEINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-08-17 — — WO disclosed
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