SCHEMBL7511957

SCHEMBL7511957

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 16/20 0.60
MMP13 P45452 13/20 0.60
MMP3 P08254 8/20 0.60
MMP1 P03956 7/20 0.60
MMP9 P14780 7/20 0.58
MMP8 P22894 5/20 0.58
MMP7 P09237 2/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MMP14 P50281 1/20 0.50
MEP1B Q16820 1/20 0.49

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
SCHEMBL22787772 0.96 MMP2 (0.55) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4564384 0.86 MMP2 (0.67) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4564383 0.86 MMP2 (0.67) MMP2MMP13MMP3MMP1MMP9
SCHEMBL31630175 0.85 MMP2 (0.49) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7502269 0.82 MMP13 (0.86) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6769969 0.81 MMP2 (0.55) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7493406 0.81 MMP2 (0.55) MMP2MMP13MMP3MMP1MMP9
SCHEMBL6779406 0.81 MMP2 (0.55) MMP2MMP13MMP3MMP1MMP9
SCHEMBL5639380 0.80 MMP2 (0.57) MMP2MMP13MMP3MMP1MMP9
SCHEMBL13639185 0.80 MMP2 (0.57) 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