SCHEMBL7301940

SCHEMBL7301940

CC(C)C(N)C(=O)N[C@@H](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.76
MMP1 P03956 6/20 0.56
MMP2 P08253 4/20 0.53
MMP3 P08254 2/20 0.53
MMP9 P14780 2/20 0.53
TARS1 P26639 1/20 0.53
MMP7 P09237 1/20 0.53
MMP8 P22894 1/20 0.50
MMP14 P50281 1/20 0.50
MMP16 P51512 1/20 0.50
ADAM17 P78536 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
Hydrochloric Acid SCHEMBL7302619 0.99 MMP13 (0.74) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7308292 0.89 MMP13 (0.61) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7182155 0.86 MMP13 (1.00) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7299964 0.80 MMP13 (0.82) MMP13MMP1MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL7301537 0.79 MMP13 (0.67) MMP13MMP1MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL7301531 0.79 MMP13 (0.67) MMP13MMP1MMP2MMP3MMP9
SCHEMBL7308056 0.78 MMP13 (1.00) MMP13MMP1
SCHEMBL7308069 0.78 MMP13 (1.00) MMP13MMP1
SCHEMBL7302708 0.78 MMP13 (0.73) MMP13MMP1MMP2MMP3MMP9
Hydrochloric Acid SCHEMBL7307675 0.77 MMP13 (0.71) MMP13MMP1MMP2MMP3MMP9

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
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP claimed
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 claimed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP claimed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed