SCHEMBL7348175

SCHEMBL7348175

CC(C)(C)CN[C@@H](CC(N)=O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.39
GRB2 P62993 1/20 0.31

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
SCHEMBL7350029 1.00 ECE1 (0.39) ECE1GRB2
SCHEMBL30645307 0.86 ECE1 (0.42) ECE1
SCHEMBL30645302 0.86 ECE1 (0.42) ECE1
SCHEMBL21451280 0.82 TGFBR1 (0.35)
SCHEMBL3242285 0.78 CTSS (0.41)
SCHEMBL3856802 0.77 ECE1 (0.42) ECE1
SCHEMBL7034111 0.77 ECE1 (0.42) ECE1
SCHEMBL7359311 0.73 ECE1 (0.44) ECE1
SCHEMBL3261068 0.73 ECE1 (0.40) ECE1
SCHEMBL7359306 0.73 ECE1 (0.44) ECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1268117-A Novel inhibitors of aggrecanase and matrix metalloproteinases for the treatment of arthritis DU PONT PHARM CO (US) 2000-09-27 CN claimed
EP-1005448-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS Du Pont Pharmaceuticals Company (US) 2000-06-07 EP claimed
WO-1999009000-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 WO claimed
EP-1005448-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS Du Pont Pharmaceuticals Company (US) 2000-06-07 EP disclosed
WO-1999009000-A2 NOVEL INHIBITORS OF AGGRECANASE AND MATRIX METALLOPROTEINASES FOR THE TREATMENT OF ARTHRITIS DU PONT PHARMACEUTICALS COMPANY (US) 1999-02-25 WO disclosed