SCHEMBL7383465

SCHEMBL7383465

COc1ccc(CCC[C@H](CC(N)=O)C(=O)N[C@H](C(N)=O)C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 18/20 0.51
MMP3 P08254 10/20 0.51
MMP1 P03956 2/20 0.48
MMP9 P14780 2/20 0.48
MMP14 P50281 1/20 0.48

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
SCHEMBL6417777 0.90 MMP3 (0.63) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7427611 0.87 MMP2 (0.54) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7613288 0.86 MMP2 (0.53) MMP2MMP3MMP1MMP9MMP14
SCHEMBL9216195 0.86 MMP2 (0.53) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7619097 0.84 MMP2 (0.53) MMP2MMP3MMP1MMP9MMP14
SCHEMBL8652786 0.79 MMP2 (0.64) MMP2MMP3
SCHEMBL6413235 0.78 MMP2 (0.65) MMP2MMP3MMP1MMP9MMP14
SCHEMBL6412003 0.77 MMP2 (0.64) MMP2MMP3MMP1MMP9MMP14
SCHEMBL4758916 0.77 ALOX5 (0.43) MMP2MMP3MMP1
SCHEMBL8667839 0.77 MMP2 (0.64) MMP2MMP3MMP1MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047450-B1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER LAMBERT CO (US) 2002-10-02 EP disclosed
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed