SCHEMBL7450640

SCHEMBL7450640

C#Cc1cc(-c2ccc(OC)cc2)ccc1S(=O)(=O)NC(CC#Cc1ccccc1)C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.62
MMP13 P45452 18/20 0.62
MMP3 P08254 16/20 0.62
MMP1 P03956 9/20 0.62
MMP9 P14780 2/20 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
SCHEMBL7507249 0.94 MMP13 (0.71) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7456194 0.92 MMP13 (0.52) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7452787 0.85 MMP13 (0.59) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7502269 0.84 MMP13 (0.86) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7504738 0.83 MMP13 (0.62) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7516045 0.80 MMP13 (0.65) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7450637 0.79 MMP2 (0.86) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7449930 0.77 MMP13 (0.88) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7516814 0.77 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7454038 0.75 MMP13 (0.74) MMP2MMP13MMP3MMP1MMP9

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 3 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
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US disclosed
WO-2000051975-A1 ALKENYL- AND ALKYNYL-CONTAINING METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-09-08 WO disclosed