SCHEMBL7311006

SCHEMBL7311006

COc1ccc(C=Cc2ccccc2S(=O)(=O)C(CC(=O)NOC(C)(C)C)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.56
MMP2 P08253 8/20 0.56
MMP3 P08254 7/20 0.56
PDE4A P27815 5/20 0.56
PDE4B Q07343 5/20 0.56
PDE4C Q08493 5/20 0.56
PDE4D Q08499 5/20 0.56
SNCA P37840 5/20 0.48
MMP9 P14780 3/20 0.43
MMP13 P45452 2/20 0.43
CAPN1 P07384 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
RECQL P46063 1/20 0.39
TRPM8 Q7Z2W7 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
SCHEMBL7312057 0.91 MMP2 (0.69) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7311001 0.85 PDE4A (0.56) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7305191 0.83 MMP1 (0.76) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7310693 0.80 SNCA (0.48) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7301418 0.78 PDE4A (0.61) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7311602 0.78 MMP1 (0.62) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7310697 0.77 SNCA (0.44) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7308348 0.75 MMP1 (0.62) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7302387 0.74 MMP2 (0.60) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7301051 0.73 MMP1 (0.57) MMP1MMP2MMP3PDE4APDE4B

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