SCHEMBL7512014

SCHEMBL7512014

O=C(O)C(CC#CCN1CCCC1)NS(=O)(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 19/20 0.86
MMP13 P45452 18/20 0.86
MMP3 P08254 11/20 0.70
MMP1 P03956 6/20 0.67
MMP9 P14780 1/20 0.57
MMP8 P22894 1/20 0.57
ADAMTS4 O75173 1/20 0.52

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
SCHEMBL7510411 0.93 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7506682 0.91 MMP2 (0.87) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7901566 0.89 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7508577 0.86 MMP2 (0.82) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7450153 0.83 MMP2 (1.00) MMP2MMP13MMP3MMP1
SCHEMBL7899841 0.83 MMP2 (1.00) MMP2MMP13MMP3MMP1
SCHEMBL7899837 0.82 MMP13 (0.82) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7557397 0.82 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7508941 0.82 MMP13 (1.00) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7595435 0.82 MMP13 (0.87) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197770-B1 ENZYME INHIBITORS; ANTIARTHRITIC AGENTS; BONE DISORDERS THE PROCTER & GAMBLE CO. 2001-03-06 US claimed
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