SCHEMBL7445843

SCHEMBL7445843

COC(=O)C(CC#Cc1ccccc1)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 17/20 0.82
MMP2 P08253 15/20 0.82
MMP3 P08254 15/20 0.82
MMP1 P03956 3/20 0.54
MMP9 P14780 2/20 0.54
MMP8 P22894 1/20 0.54
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PRMT1 Q99873 1/20 0.50

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
SCHEMBL7446824 0.91 MMP13 (0.70) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7892463 0.91 MMP13 (1.00) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7901576 0.85 MMP13 (0.61) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7587409 0.85 MMP13 (0.61) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7451531 0.84 MMP13 (0.80) MMP13MMP2MMP3MMP1MMP9
SCHEMBL4371861 0.81 MMP2 (0.64) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7448919 0.80 MMP13 (0.54) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7452549 0.80 MMP2 (0.82) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7454899 0.80 MMP2 (0.88) MMP13MMP2MMP3MMP1MMP9
SCHEMBL7572575 0.80 MMP13 (0.65) 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 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