SCHEMBL13049342

SCHEMBL13049342

CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C=O)CN2C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ELANE P08246 2/20 0.41
CMA1 P23946 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL13049917 0.89 CTSL (0.51) CTSLITGB3ITGA2BELANEMAPK1
SCHEMBL17577890 0.88 CTSL (0.51) CTSLITGB3ITGA2BELANEMAPK1
SCHEMBL17577847 0.88 CTSL (0.38) CTSLELANE
SCHEMBL12299752 0.87 CTSL (0.57) CTSLITGB3ITGA2BELANE
SCHEMBL2441255 0.87 CTSL (0.57) CTSLITGB3ITGA2BELANE
SCHEMBL2115422 0.87 CTSL (0.52) CTSLITGB3ITGA2BELANEMAPK1
SCHEMBL2622093 0.87 CTSL (0.52) CTSLITGB3ITGA2BELANEMAPK1
SCHEMBL2115417 0.86 CTSL (0.49) CTSLITGB3ITGA2BCMA1MAPK1
SCHEMBL2622146 0.86 CTSL (0.49) CTSLITGB3ITGA2BCMA1MAPK1
SCHEMBL17577895 0.86 CTSL (0.49) CTSLITGB3ITGA2BCMA1MAPK1

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-2010138496-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 WO disclosed