SCHEMBL13201347

SCHEMBL13201347

COc1ccc(S(=O)(=O)N2C(C(=O)NO)CC3CCCC32)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.61
MMP2 P08253 7/20 0.61
MMP12 P39900 1/20 0.61
MMP1 P03956 19/20 0.60
MMP3 P08254 17/20 0.60
MMP7 P09237 15/20 0.60
MMP13 P45452 14/20 0.60
MMP8 P22894 1/20 0.58
ADAM17 P78536 1/20 0.56

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
SCHEMBL2963202 0.87 MMP2 (0.48) MMP9MMP2MMP12MMP1MMP3
SCHEMBL8324754 0.87 MMP2 (0.48) MMP9MMP2MMP12MMP1MMP3
SCHEMBL5532810 0.87 MMP1 (0.62) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1656257 0.87 MMP9 (0.68) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1656130 0.87 MMP1 (0.62) MMP9MMP2MMP12MMP1MMP3
SCHEMBL13201315 0.86 MMP2 (0.46) MMP9MMP2MMP12MMP1MMP3
SCHEMBL1655768 0.85 MMP2 (0.66) MMP9MMP2MMP12MMP1MMP3
SCHEMBL13201339 0.85 MMP2 (0.46) MMP9MMP2MMP12MMP1MMP3
SCHEMBL8319091 0.85 MMP9 (0.46) MMP9MMP2MMP12MMP1MMP3
SCHEMBL8324756 0.85 MMP2 (0.46) MMP9MMP2MMP12MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed