SCHEMBL7363513

SCHEMBL7363513

COc1ccc(C[C@H](NC(=O)[C@H](CC(C)C)NC(CCN2C(=O)c3cccc4cccc(c34)C2=O)P(=O)(OCc2ccccc2)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.51
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MMP3 P08254 6/20 0.43
MMP2 P08253 1/20 0.43
F2 P00734 1/20 0.43
MMP9 P14780 7/20 0.42
REN P00797 1/20 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
SCHEMBL7387789 0.86 MMP1 (0.41) MMP1MMP3MMP2MMP9REN
SCHEMBL7357542 0.85 MMP1 (0.55) MMP1MMP3MMP2MMP9
SCHEMBL7353371 0.85 ERAP1 (0.53) MMP2MMP9
SCHEMBL7322307 0.84 MMP1 (0.48) MMP1MMP3MMP2MMP9REN
SCHEMBL7324452 0.83 MMP1 (0.45) MMP1MMP3MMP2MMP9
SCHEMBL9348262 0.83 MMP1 (0.51) MMP1MMP3MMP2MMP9REN
SCHEMBL7322384 0.83 MMP1 (0.54) MMP1MMP3MMP2MMP9REN
SCHEMBL7356800 0.82 ERAP1 (0.53) CTSKMMP2MMP9
SCHEMBL7353015 0.81 MMP1 (0.38) MMP1MMP3MMP2MMP9REN
SCHEMBL7328452 0.81 MMP1 (0.45) MMP1MMP3MMP2MMP9REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995013817-A1 ENDOTHELIN CONVERTING ENZYME INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-05-26 WO disclosed