SCHEMBL9506233

SCHEMBL9506233

CNC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)CP(=O)(O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.71
MMP2 P08253 3/20 0.62
MMP1 P03956 10/20 0.60

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
SCHEMBL9506251 1.00 MMP3 (0.71) MMP3MMP2MMP1
SCHEMBL9506995 0.89 MMP3 (0.58) MMP3MMP2MMP1
SCHEMBL9503164 0.89 MMP3 (0.58) MMP3MMP2MMP1
SCHEMBL9790846 0.88 MMP3 (0.60) MMP3MMP2MMP1
SCHEMBL9790866 0.88 MMP3 (0.60) MMP3MMP2MMP1
SCHEMBL9503299 0.88 MMP3 (0.62) MMP3MMP2MMP1
SCHEMBL9503311 0.88 MMP3 (0.62) MMP3MMP2MMP1
SCHEMBL9503126 0.84 MMP1 (0.55) MMP3MMP2MMP1
SCHEMBL9503152 0.84 MMP1 (0.55) MMP3MMP2MMP1
SCHEMBL9506066 0.84 MMP3 (0.67) MMP3MMP2MMP1

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
EP-0276436-A1 Phosphinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-08-03 EP disclosed