Marimastat

Marimastat

SCHEMBL7931107

CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C.[CaH2]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP12MMP2MMP3MMP7MMP9

The experimentally established mechanism targets of Marimastat. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 known ✓ P03956 9/20 0.97
MMP2 known ✓ P08253 8/20 0.97
MMP3 known ✓ P08254 6/20 0.97
MMP9 known ✓ P14780 5/20 0.97
MMP7 known ✓ P09237 3/20 0.97
MMP12 known ✓ P39900 1/20 0.97
ADAM17 P78536 13/20 0.97
MMP8 P22894 6/20 0.97
MMP13 P45452 3/20 0.97
TNF P01375 2/20 0.97
MMP20 O60882 1/20 0.97
ADAMTS4 O75173 1/20 0.97
MMP10 P09238 1/20 0.97
MMP14 P50281 1/20 0.97
MMP15 P51511 1/20 0.97
MMP16 P51512 1/20 0.97
MMP25 Q9NPA2 1/20 0.97
MMP26 Q9NRE1 1/20 0.97
ADAMTS5 Q9UNA0 1/20 0.97
MMP24 Q9Y5R2 1/20 0.97

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
Marimastat SCHEMBL13575773 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL134999 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL1821430 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL8189167 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL34033 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL13253251 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL8193003 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL17799241 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL20793036 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL31231856 0.99 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140182-A2 USE OF A MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENT, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP disclosed
WO-2000038718-A2 USE OF MATRIX METALLOPROTEINASE INHIBITOR TOGETHER WITH AN ANTINEOPLASTIC AGENTS, OPTIONALLY ALSO TOGETHER WITH RADIATION, IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO disclosed