SCHEMBL7452133

SCHEMBL7452133

COCCOCOCC#CCC(NS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1)C(=O)OC

nearest known ligand 0.86

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.86
MMP2 P08253 19/20 0.86
MMP3 P08254 14/20 0.86
MMP1 P03956 8/20 0.86
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MMP7 P09237 2/20 0.45

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
SCHEMBL7449622 0.92 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL4327772 0.79 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7502924 0.79 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7511957 0.78 MMP2 (0.60) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7451546 0.78 MMP2 (0.85) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7502269 0.77 MMP13 (0.86) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7595435 0.77 MMP13 (0.87) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7513667 0.74 MMP13 (0.88) MMP13MMP2MMP3MMP1MMP9
SCHEMBL22787772 0.74 MMP2 (0.55) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7508942 0.74 MMP13 (0.80) 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 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