SCHEMBL6062073

SCHEMBL6062073

CC(C)CCC(=O)N[C@@H](CS(=O)(=O)Cc1ccccc1OC(F)F)C(=O)N(C)C#N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.40
CTSS P25774 6/20 0.40
CTSL P07711 4/20 0.40
CTSK P43235 2/20 0.40
CTSF Q9UBX1 1/20 0.40
MAPT P10636 1/20 0.34
MAP3K7 O43318 3/20 0.34
TAB1 Q15750 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7547881 0.88 CTSB (0.41) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062766 0.87 CTSS (0.39) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6062942 0.87 CTSL (0.40) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6737516 0.86 CTSS (0.39) CTSBCTSSCTSLCTSKCTSF
SCHEMBL7658551 0.85 CTSL (0.52) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1558021 0.84 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6741608 0.84 CTSL (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL6061943 0.83 CTSB (0.48) CTSBCTSSCTSLCTSKCTSF
SCHEMBL7682674 0.83 CTSB (0.46) CTSBCTSSCTSLCTSKCTSF
SCHEMBL1557816 0.83 CTSB (0.42) CTSBCTSSCTSLCTSKCTSF

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-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed