SCHEMBL7399502

SCHEMBL7399502

CC(C)C[C@H](NC(=O)C(CCc1ccccc1)CP(C)(=O)O)C(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 20/20 1.00
MMP2 P08253 5/20 1.00
MMP1 P03956 2/20 0.72

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
SCHEMBL6413845 0.89 MMP3 (0.80) MMP3MMP2MMP1
SCHEMBL7398636 0.80 MMP3 (0.79) MMP3MMP2MMP1
SCHEMBL7606130 0.80 MMP3 (0.82) MMP3MMP2MMP1
SCHEMBL7606124 0.80 MMP3 (0.82) MMP3MMP2MMP1
SCHEMBL7396919 0.80 MMP3 (1.00) MMP3MMP2MMP1
SCHEMBL9069179 0.78 MME (0.73) MMP3MMP2
SCHEMBL23616375 0.77 MMP3 (0.66) MMP3MMP2MMP1
SCHEMBL7400918 0.76 MMP3 (1.00) MMP3MMP2
SCHEMBL7404150 0.76 MMP3 (0.81) MMP3MMP2MMP1
SCHEMBL6414131 0.75 MME (0.77) MMP3MMP2

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
US-5679700-A STROMELYSIN INHIBITOR MERCK & CO., INC. (US) 1997-10-21 US claimed
WO-1993014112-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-07-22 WO claimed
US-5679700-A STROMELYSIN INHIBITOR MERCK & CO., INC. (US) 1997-10-21 US disclosed
EP-0623143-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO. INC. (US) 1994-11-09 EP disclosed
WO-1993014112-A1 SUBSTITUTED PHOSPHINIC ACID-CONTAINING PEPTIDYL DERIVATIVES AS ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1993-07-22 WO disclosed