SCHEMBL7428530

SCHEMBL7428530

CC(C)(C)C(N)C(=O)O.CCCc1ccc(CC[C@@H](CC(C)C(=O)O)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.52
MMP3 P08254 18/20 0.52
GRIK1 P39086 1/20 0.42

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
SCHEMBL7382804 0.88 MMP3 (0.58) MMP2MMP3
SCHEMBL7382801 0.88 MMP3 (0.58) MMP2MMP3
SCHEMBL7385943 0.84 S1PR2 (0.49) MMP2MMP3
SCHEMBL7375728 0.84 S1PR2 (0.49) MMP2MMP3
SCHEMBL7470292 0.79 MMP2 (0.50) MMP2MMP3
SCHEMBL7422973 0.78 MMP2 (0.67) MMP2MMP3
SCHEMBL7422976 0.78 MMP2 (0.67) MMP2MMP3
SCHEMBL7367245 0.76 MMP2 (0.60) MMP2MMP3GRIK1
SCHEMBL21895810 0.73 MMP2 (0.61) MMP2MMP3
SCHEMBL7382744 0.73 MMP2 (0.55) MMP2MMP3GRIK1

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-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed