SCHEMBL7570436

SCHEMBL7570436

C=CC(COCc1ccccc1)C(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 8/20 0.51
MMP13 P45452 6/20 0.51
MMP2 P08253 12/20 0.48
MMP3 P08254 5/20 0.48
MMP9 P14780 8/20 0.47
MMP1 P03956 3/20 0.47
MMP7 P09237 3/20 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
SCHEMBL7509479 0.92 CTSL (0.48) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL7515533 0.91 ADAMTS4 (0.56) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL7509896 0.87 MMP13 (0.61) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL6769963 0.78 MMP2 (0.60) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL7497120 0.78 MMP2 (0.60) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL6742817 0.77 ADAMTS4 (0.60) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL6773478 0.76 CTSL (0.46) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL5573278 0.75 CTSL (0.54) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL12808878 0.75 MMP2 (0.76) ADAMTS4MMP13MMP2MMP3MMP9
SCHEMBL6739724 0.74 ADAMTS4 (0.63) ADAMTS4MMP13MMP2MMP3MMP9

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