SCHEMBL7310773

SCHEMBL7310773

CC(C)(C)ONC(=O)C1CC(CS(=O)(=O)c2ccc(Oc3ccncc3)cc2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.41
MMP3 P08254 3/20 0.39
MMP7 P09237 2/20 0.39
MMP2 P08253 14/20 0.38
MMP9 P14780 11/20 0.38
MMP14 P50281 7/20 0.38
MMP13 P45452 4/20 0.38
MMP8 P22894 5/20 0.37

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
SCHEMBL7301657 0.83 RXRB (0.39) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7303122 0.83 ALDH1A1 (0.34) MMP1MMP3MMP7MMP2MMP9
Hydrochloric Acid SCHEMBL8425471 0.72 MMP1 (0.48) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7307600 0.71 MMP13 (0.46) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7310800 0.69 MMP2 (0.46) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7308050 0.69 MMP1 (0.46) MMP1MMP3MMP7MMP2MMP9
SCHEMBL7308960 0.69 MMP13 (0.42) MMP1MMP3MMP7MMP2MMP9
SCHEMBL20204133 0.67 CNR2 (0.35) MMP1MMP3MMP2MMP9MMP14
SCHEMBL8426091 0.62 MMP2 (0.47) MMP1MMP3MMP7MMP2MMP9
SCHEMBL12717525 0.62 MMP2 (0.74) MMP1MMP3MMP7MMP2MMP9

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