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Sugi Predict / Compounds / SCHEMBL8828124

SCHEMBL8828124

SCHEMBL8828124

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 16/20 0.58
▸ MMP1 P03956 14/20 0.58
▸ MMP3 P08254 14/20 0.58
▸ MMP7 P09237 6/20 0.57
▸ MMP8 P22894 3/20 0.56
▸ MMP9 P14780 1/20 0.55

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
SCHEMBL8828156 0.93 MMP2 (0.56) MMP2MMP1MMP3MMP7MMP8
SCHEMBL8828128 0.88 MMP1 (0.72) MMP2MMP1MMP3MMP7MMP8
SCHEMBL8828135 0.88 MMP3 (0.72) MMP2MMP1MMP3MMP7MMP8
SCHEMBL8828145 0.87 MMP2 (0.61) MMP2MMP1MMP3MMP7MMP8
SCHEMBL8828120 0.87 MMP2 (0.59) MMP2MMP1MMP3MMP7MMP8
SCHEMBL8055025 0.87 MMP2 (0.77) MMP2MMP1MMP3MMP7MMP8
SCHEMBL8468208 0.85 BIRC2 (0.46) MMP2MMP1MMP3MMP7MMP8
SCHEMBL8828106 0.85 MMP1 (0.75) MMP2MMP1MMP3MMP7MMP8
SCHEMBL8971222 0.84 MMP1 (0.76) MMP2MMP1MMP3MMP7MMP8
SCHEMBL5099126 0.83 MMP1 (0.69) MMP2MMP1MMP3MMP7MMP8

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
US-5618844-A MATRIX METALLOPROTEINASE INHIBITOR SANOFI S.A. (FR) 1997-04-08 — — US disclosed
US-5514716-A MATRIX METALLOPROTEINASE INHIBITORS, ANTIARTHRITIC STERLING WINTHROP, INC. (US) 1996-05-07 — — US disclosed