SCHEMBL7310353

SCHEMBL7310353

O=C(CC(Cc1ccccc1)S(=O)(=O)c1ccc(/C=C/c2ccccc2)cc1)NO

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 10/20 0.70
PDE4A P27815 9/20 0.70
PDE4B Q07343 9/20 0.70
PDE4C Q08493 9/20 0.70
PDE4D Q08499 9/20 0.70
MMP2 P08253 7/20 0.70
MMP3 P08254 7/20 0.70
MMP13 P45452 5/20 0.53
MMP7 P09237 4/20 0.53
MMP12 P39900 4/20 0.53
ACE P12821 3/20 0.53
MMP9 P14780 1/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
MME P08473 1/20 0.43

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
SCHEMBL7310358 1.00 MMP1 (0.70) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7299010 0.89 MMP1 (0.76) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7311143 0.88 MMP1 (0.54) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7311140 0.88 MMP1 (0.54) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7302153 0.87 MMP2 (0.73) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7312050 0.86 PDE4A (0.69) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7306315 0.84 MMP1 (0.69) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7308283 0.84 MMP1 (0.80) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL6824624 0.82 MMP2 (1.00) MMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL7302160 0.81 PDE4A (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed