SCHEMBL6983383

SCHEMBL6983383

Cc1ccc(COC(=O)N[C@@H](CC(C)(C)C)C(=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
ITGB3 P05106 8/20 0.44
ITGA2B P08514 7/20 0.44
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
PPARA Q07869 3/20 0.42
PPARG P37231 1/20 0.42
TGM2 P21980 2/20 0.41
ITGAV P06756 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
SCHEMBL7086994 0.91 CTSL (0.47) CTSLCTSBCTSSITGB3ITGA2B
SCHEMBL7384652 0.84 CTSK (0.52) CTSLCTSBCTSS
SCHEMBL3824323 0.81 CTSS (0.71) CTSLCTSBCTSSITGB3ITGA2B
SCHEMBL2400100 0.81 CTSS (0.71) CTSLCTSBCTSSITGB3ITGA2B
SCHEMBL2400096 0.81 CTSS (0.71) CTSLCTSBCTSSITGB3ITGA2B
SCHEMBL7303476 0.79 TYR (0.46) CTSLCTSBCTSS
SCHEMBL7303468 0.79 TYR (0.46) CTSLCTSBCTSS
SCHEMBL5134409 0.77 CTSL (0.72) CTSLCTSBCTSSITGB3ITGA2B
SCHEMBL8169761 0.77 ITGB3 (0.50) CTSLCTSBCTSSITGB3ITGA2B
SCHEMBL33526555 0.76 ITGB3 (0.57) CTSLCTSBCTSSITGB3ITGA2B

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-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed