SCHEMBL7516045

SCHEMBL7516045

C#Cc1cc(-c2ccc(OC)cc2)ccc1S(=O)(=O)NC(CC#CCN1CCOCC1)C(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.65
MMP2 P08253 18/20 0.65
MMP3 P08254 11/20 0.65
MMP1 P03956 8/20 0.65
MMP8 P22894 3/20 0.40
MMP9 P14780 2/20 0.40
MMP12 P39900 1/20 0.39
MMP7 P09237 1/20 0.39
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7454038 0.94 MMP13 (0.74) MMP13MMP2MMP3MMP1MMP8
SCHEMBL7513667 0.85 MMP13 (0.88) MMP13MMP2MMP3MMP1MMP8
SCHEMBL7450640 0.80 MMP2 (0.62) MMP13MMP2MMP3MMP1MMP8
SCHEMBL7509322 0.79 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP8
SCHEMBL7516039 0.79 MMP2 (0.88) MMP13MMP2MMP3MMP1MMP8
SCHEMBL7516046 0.77 MMP13 (0.48) MMP13MMP2MMP3MMP1MMP8
SCHEMBL7595435 0.77 MMP13 (0.87) MMP13MMP2MMP3MMP1MMP8
SCHEMBL7454044 0.77 MMP2 (0.49) MMP13MMP2MMP3MMP1MMP8
SCHEMBL7901562 0.75 MMP2 (0.71) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7509690 0.75 MMP2 (0.86) MMP13MMP2MMP3MMP1MMP8

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