SCHEMBL8971222

SCHEMBL8971222

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCOCc1ccccc1)CC(=O)OC(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 15/20 0.76
MMP3 P08254 15/20 0.76
MMP9 P14780 5/20 0.76
MMP8 P22894 4/20 0.76
MMP2 P08253 13/20 0.59
MMP7 P09237 3/20 0.56

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
SCHEMBL8828106 0.89 MMP1 (0.75) MMP1MMP3MMP9MMP8MMP2
SCHEMBL8970831 0.89 MMP1 (0.83) MMP1MMP3MMP9MMP8MMP2
SCHEMBL8828135 0.88 MMP3 (0.72) MMP1MMP3MMP9MMP8MMP2
SCHEMBL8055025 0.87 MMP2 (0.77) MMP1MMP3MMP9MMP8MMP2
SCHEMBL8828145 0.87 MMP2 (0.61) MMP1MMP3MMP9MMP8MMP2
SCHEMBL2639074 0.86 MMP3 (1.00) MMP1MMP3MMP9MMP8MMP2
SCHEMBL8828128 0.86 MMP1 (0.72) MMP1MMP3MMP9MMP8MMP2
SCHEMBL2639787 0.85 MMP3 (1.00) MMP1MMP3MMP9MMP8MMP2
SCHEMBL8828120 0.85 MMP2 (0.59) MMP1MMP3MMP9MMP8MMP2
SCHEMBL8828124 0.84 MMP2 (0.58) MMP1MMP3MMP9MMP8MMP2

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-5514716-A MATRIX METALLOPROTEINASE INHIBITORS, ANTIARTHRITIC STERLING WINTHROP, INC. (US) 1996-05-07 US disclosed