SCHEMBL7311602

SCHEMBL7311602

CC(C)(C)ONC(=O)CC(Cc1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.62
PDE4A P27815 8/20 0.62
PDE4B Q07343 8/20 0.62
PDE4C Q08493 8/20 0.62
PDE4D Q08499 8/20 0.62
MMP2 P08253 7/20 0.62
MMP3 P08254 7/20 0.62
MMP13 P45452 5/20 0.46
MMP7 P09237 3/20 0.46
MMP12 P39900 3/20 0.46
ACE P12821 2/20 0.46
MMP9 P14780 1/20 0.44
ABCB1 P08183 1/20 0.43
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7302387 0.93 MMP2 (0.60) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7308348 0.92 MMP1 (0.62) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7305191 0.92 MMP1 (0.76) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7308096 0.90 MMP1 (0.57) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7301418 0.88 PDE4A (0.61) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7301051 0.88 MMP1 (0.57) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7311001 0.82 PDE4A (0.56) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7308114 0.81 MMP2 (0.44) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7299010 0.80 MMP1 (0.76) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7311006 0.78 MMP1 (0.56) MMP1PDE4APDE4BPDE4CPDE4D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed