SCHEMBL6630258

SCHEMBL6630258

CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)CC1CC1)C(=O)NCCCC[C@H](O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CXCR3 P49682 1/20 0.39
CYP3A4 P08684 1/20 0.38
SCN9A Q15858 1/20 0.38
ACACB O00763 2/20 0.38
ACHE P22303 2/20 0.38
BCHE P06276 1/20 0.38
ACACA Q13085 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL6061712 0.88 MAPT (0.46) MAPTACHEBCHECA1CA2
SCHEMBL6628449 0.88 MAPT (0.46) MAPTACHEBCHECA1CA2
SCHEMBL6628343 0.83 ACACB (0.36) CYP3A4SCN9AACACB
SCHEMBL6628340 0.83 ACACB (0.36) CYP3A4SCN9AACACB
SCHEMBL6627857 0.83 ACACB (0.36) CYP3A4SCN9AACACB
SCHEMBL6633248 0.82 LMNA (0.35) MAPT
SCHEMBL6062057 0.81 CTSS (0.41) MAPTSCN9AACACB
SCHEMBL6062065 0.81 CTSS (0.41) MAPTSCN9AACACB
SCHEMBL6062062 0.81 CTSS (0.41) MAPTSCN9AACACB
SCHEMBL6696297 0.81 CTSS (0.41) MAPTSCN9AACACB

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-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed