SCHEMBL9505079

SCHEMBL9505079

CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CP(=O)(O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN1C(=O)c2ccccc2C1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 16/20 0.62
MMP1 P03956 2/20 0.58
MMP2 P08253 4/20 0.56

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
SCHEMBL9505069 1.00 MMP3 (0.62) MMP3MMP1MMP2
SCHEMBL9506219 0.91 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL9506211 0.91 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL9505195 0.86 MMP3 (0.53) MMP3MMP1MMP2
SCHEMBL9790672 0.83 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL9790680 0.83 MMP3 (0.47) MMP3MMP1MMP2
SCHEMBL9790825 0.82 MMP3 (0.72) MMP3MMP1
SCHEMBL9790838 0.82 MMP3 (0.72) MMP3MMP1
SCHEMBL27281835 0.81 CTSL (0.52)
SCHEMBL9504991 0.78 MMP3 (0.45) 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 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