SCHEMBL7606124

SCHEMBL7606124

COP(=O)(CC(CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1)C(C)NC(=O)OCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 20/20 0.82
MMP1 P03956 2/20 0.82
MMP2 P08253 2/20 0.66

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
SCHEMBL7606130 1.00 MMP3 (0.82) MMP3MMP1MMP2
SCHEMBL7497156 0.82 MMP3 (0.55) MMP3MMP1MMP2
SCHEMBL7497160 0.82 MMP3 (0.55) MMP3MMP1MMP2
SCHEMBL7399502 0.80 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL9698601 0.80 HSD17B10 (0.56) MMP3MMP1
SCHEMBL18791049 0.79 CTSK (0.75) MMP3MMP1
SCHEMBL28367764 0.79 CTSK (0.75) MMP3MMP1
SCHEMBL7398636 0.77 MMP3 (0.79) MMP3MMP1MMP2
SCHEMBL9697717 0.75 KYNU (0.55) MMP3MMP1
SCHEMBL9697750 0.74 MMP3 (0.46) MMP3MMP1MMP2

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-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