SCHEMBL9503316

SCHEMBL9503316

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 10/20 0.47
MMP1 P03956 5/20 0.47
MMP2 P08253 4/20 0.44
CAPN1 P07384 2/20 0.38
CPA1 P15085 1/20 0.38
CPA2 P48052 1/20 0.38
CPA4 Q9UI42 1/20 0.38
PLK1 P53350 3/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
PLK3 Q9H4B4 2/20 0.37
PLK2 Q9NYY3 2/20 0.37
STAT3 P40763 1/20 0.36

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
SCHEMBL10715152 0.89 MMP1 (0.41) MMP3MMP1MMP2CAPN1MMP9
SCHEMBL9503972 0.83 MMP3 (0.51) MMP3MMP1MMP2CAPN1CPA1
SCHEMBL9503983 0.83 MMP3 (0.51) MMP3MMP1MMP2CAPN1CPA1
SCHEMBL9503299 0.83 MMP3 (0.62) MMP3MMP1MMP2CPA1CPA2
SCHEMBL9503311 0.83 MMP3 (0.62) MMP3MMP1MMP2CPA1CPA2
SCHEMBL9503152 0.74 MMP1 (0.55) MMP3MMP1MMP2
SCHEMBL9503126 0.74 MMP1 (0.55) MMP3MMP1MMP2
SCHEMBL21553669 0.72 F2 (0.46) MMP3MMP1CPA1CPA2CPA4
SCHEMBL22930154 0.72 CAPN1 (0.47) MMP3MMP1CAPN1CPA1CPA2
SCHEMBL9506233 0.72 MMP3 (0.71) 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-0276436-B1 PHOSPHINIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-16 EP disclosed
EP-0276436-A1 Phosphinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-08-03 EP disclosed