SCHEMBL7312101

SCHEMBL7312101

CC(C)(C)OC(=O)N(OC(C)(C)C)C(=O)C1CC(CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 15/20 0.44
MMP2 P08253 14/20 0.40
MMP1 P03956 9/20 0.40
MMP9 P14780 6/20 0.40
MMP3 P08254 3/20 0.40
MMP14 P50281 5/20 0.40
MMP8 P22894 2/20 0.40
MMP7 P09237 1/20 0.40
ADAM17 P78536 1/20 0.40
MMP12 P39900 2/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MMP16 P51512 1/20 0.34

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
SCHEMBL7304773 0.84 MMP13 (0.33) MMP13ALDH1A1
SCHEMBL7307600 0.82 MMP13 (0.46) MMP13MMP2MMP1MMP9MMP3
SCHEMBL9543675 0.68 ELOVL6 (0.33) MMP13MMP1MMP8
SCHEMBL7731213 0.67 BTK (0.46) MMP13
SCHEMBL12020262 0.67 MMP2 (0.69) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7310800 0.66 MMP2 (0.46) MMP13MMP2MMP1MMP9MMP3
SCHEMBL7308050 0.66 MMP1 (0.46) MMP13MMP2MMP1MMP9MMP3
SCHEMBL6526899 0.64 GPR119 (0.41)
SCHEMBL6796941 0.63 MMP3 (0.56) MMP13MMP2MMP1MMP9MMP3
SCHEMBL5548711 0.62 MAOB (0.52) MMP13

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