SCHEMBL7449622

SCHEMBL7449622

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 1.00
MMP2 P08253 19/20 1.00
MMP3 P08254 14/20 1.00
MMP1 P03956 6/20 1.00
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63

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
SCHEMBL7452133 0.92 MMP13 (0.86) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7502924 0.88 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL4327772 0.88 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7517311 0.82 MMP13 (0.81) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7508942 0.82 MMP13 (0.80) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7451446 0.80 MMP13 (0.76) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7503190 0.79 MMP2 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7899837 0.79 MMP13 (0.82) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7450537 0.79 MMP2 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7516814 0.78 MMP13 (1.00) 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 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