SCHEMBL7308050

SCHEMBL7308050

CC(C)(C)ONC(=O)C1CC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN1S(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.46
MMP2 P08253 9/20 0.46
MMP13 P45452 9/20 0.46
MMP3 P08254 5/20 0.44
MMP7 P09237 5/20 0.44
ADAM17 P78536 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL7310800 0.87 MMP2 (0.46) MMP1MMP2MMP13MMP3MMP7
SCHEMBL7308960 0.80 MMP13 (0.42) MMP1MMP2MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL7309427 0.79 MMP1 (0.53) MMP1MMP2MMP13MMP3MMP7
SCHEMBL7307600 0.78 MMP13 (0.46) MMP1MMP2MMP13MMP3MMP7
SCHEMBL6796941 0.71 MMP3 (0.56) MMP1MMP2MMP13MMP3MMP7
SCHEMBL7310773 0.69 MMP1 (0.41) MMP1MMP2MMP13MMP3MMP7
SCHEMBL6789829 0.69 MMP2 (0.54) MMP1MMP2MMP13MMP3MMP7
SCHEMBL12020262 0.68 MMP2 (0.69) MMP1MMP2MMP13MMP3MMP7
SCHEMBL7308959 0.66 MMP13 (0.58) MMP1MMP2MMP13
SCHEMBL7308976 0.66 MMP13 (0.58) MMP1MMP2MMP13

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