SCHEMBL19286781

SCHEMBL19286781

CNC(=O)[C@@H](NC(=O)[C@H](CCC(C)C)[C@H](O)C(=O)NO)C(C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 12/20 0.78
MMP1 P03956 10/20 0.78
MMP2 P08253 9/20 0.78
MMP3 P08254 7/20 0.78
MMP8 P22894 6/20 0.78
MMP9 P14780 6/20 0.78
MMP7 P09237 3/20 0.78
MMP13 P45452 3/20 0.78
TNF P01375 2/20 0.78
MMP14 P50281 2/20 0.78
MMP20 O60882 1/20 0.78
ADAMTS4 O75173 1/20 0.78
MMP10 P09238 1/20 0.78
MMP12 P39900 1/20 0.78
MMP15 P51511 1/20 0.78
MMP16 P51512 1/20 0.78
MMP25 Q9NPA2 1/20 0.78
MMP26 Q9NRE1 1/20 0.78
ADAMTS5 Q9UNA0 1/20 0.78
MMP24 Q9Y5R2 1/20 0.78

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 SCHEMBL1821430 0.87 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL13575773 0.87 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL134999 0.87 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL34033 0.87 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL13253251 0.87 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL8193003 0.87 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL17799241 0.87 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL8189167 0.87 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL20793036 0.87 ADAM17 (1.00) ADAM17MMP1MMP2MMP3MMP8
Marimastat SCHEMBL31231856 0.87 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745567-B2 Compositions and methods for treating multiple sclerosis REVALESIO CORPORATION (US) 2017-08-29 US disclosed