SCHEMBL7456191

SCHEMBL7456191

COC(=O)C(CC#Cc1ccccc1)NS(=O)(=O)c1ccc(C#Cc2ccc(C)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 17/20 0.81
MMP13 P45452 15/20 0.81
MMP3 P08254 13/20 0.81
MMP9 P14780 5/20 0.62
MMP1 P03956 4/20 0.62
MMP8 P22894 1/20 0.62

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
SCHEMBL7450637 0.90 MMP2 (0.86) MMP2MMP13MMP3MMP9MMP1
SCHEMBL4371861 0.89 MMP2 (0.64) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7572575 0.88 MMP13 (0.65) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7502956 0.87 MMP13 (0.81) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7587409 0.85 MMP13 (0.61) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7502697 0.85 MMP13 (0.80) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7901576 0.85 MMP13 (0.61) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7502269 0.85 MMP13 (0.86) MMP2MMP13MMP3MMP9MMP1
SCHEMBL2904532 0.80 MMP2 (0.81) MMP2MMP13MMP3MMP9MMP1
SCHEMBL7506676 0.79 MMP2 (0.86) MMP2MMP13MMP3MMP9MMP1

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
EP-1165501-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed