SCHEMBL9504099

SCHEMBL9504099

CCN1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCP(=O)(O)C[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 11/20 0.58
MMP3 P08254 9/20 0.50
MMP2 P08253 3/20 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
SCHEMBL9504076 1.00 MMP1 (0.58) MMP1MMP3MMP2
SCHEMBL9503311 0.88 MMP3 (0.62) MMP1MMP3MMP2
SCHEMBL9503299 0.88 MMP3 (0.62) MMP1MMP3MMP2
SCHEMBL9503126 0.84 MMP1 (0.55) MMP1MMP3MMP2
SCHEMBL9503152 0.84 MMP1 (0.55) MMP1MMP3MMP2
SCHEMBL10715152 0.83 MMP1 (0.41) MMP1MMP3MMP2
SCHEMBL9506233 0.82 MMP3 (0.71) MMP1MMP3MMP2
SCHEMBL9506251 0.82 MMP3 (0.71) MMP1MMP3MMP2
SCHEMBL9790846 0.79 MMP3 (0.60) MMP1MMP3MMP2
SCHEMBL9790866 0.79 MMP3 (0.60) MMP1MMP3MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276436-B1 PHOSPHINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 EP disclosed
US-5006651-A Rheumatic diseases, bone disorders HOFFMAN-LA ROCHE INC. (US) 1991-04-09 US disclosed
US-4885283-A Phosphinic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1989-12-05 US disclosed