SCHEMBL7901576

SCHEMBL7901576

COC(=O)C(CC#Cc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.61
MMP2 P08253 17/20 0.61
MMP3 P08254 14/20 0.61
MMP1 P03956 5/20 0.60
MMP9 P14780 3/20 0.60
MMP8 P22894 1/20 0.60
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL7587409 0.92 MMP13 (0.61) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7454637 0.89 MMP13 (0.78) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7572575 0.86 MMP13 (0.65) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7445843 0.85 MMP13 (0.82) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7446824 0.85 MMP13 (0.70) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7903561 0.85 MMP13 (0.67) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7502956 0.85 MMP13 (0.81) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7456191 0.85 MMP2 (0.81) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7450637 0.84 MMP2 (0.86) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7899846 0.83 MMP2 (0.68) MMP13MMP2MMP3MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed