SCHEMBL7312804

SCHEMBL7312804

COc1cccc(SC(CC(=O)NO)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP3 P08254 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MTNR1A P48039 10/20 0.48
MTNR1B P49286 10/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP2 O75604 1/20 0.45
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL6823210 0.87 MMP1 (0.59) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL6824575 0.84 PDE4A (0.51) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7300405 0.84 MME (0.50) MMP1HDAC6
SCHEMBL6823237 0.83 PDE4A (0.53) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7302523 0.82 MMP1 (0.54) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7298887 0.82 ANPEP (0.52) MMP2MMP9MMP8
SCHEMBL7299278 0.81 PPARG (0.47) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL6819843 0.81 PDE4A (0.53) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7362100 0.80 PDE4A (0.57) MMP1MMP2MMP3PDE4APDE4B
SCHEMBL7301205 0.79 MME (0.46) MMP1HDAC6

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