SCHEMBL7346145

SCHEMBL7346145

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)C1CN(C(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)CC1O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.73
CTSL P07711 9/20 0.62
CTSS P25774 8/20 0.62
CTSB P07858 4/20 0.57

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
SCHEMBL7341638 0.94 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL27492433 0.94 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL7450915 0.90 CTSK (0.60) CTSKCTSLCTSSCTSB
SCHEMBL7664851 0.86 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL7342176 0.85 CTSK (0.58) CTSKCTSLCTSSCTSB
SCHEMBL6578220 0.84 CTSK (0.70) CTSKCTSLCTSSCTSB
SCHEMBL6580628 0.84 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL7376593 0.84 CTSK (0.53) CTSKCTSLCTSSCTSB
SCHEMBL6580629 0.84 CTSK (1.00) CTSKCTSLCTSSCTSB
SCHEMBL6581265 0.84 CTSK (0.69) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804180-A4 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORP (US) 2001-09-05 EP disclosed
EP-0804180-A1 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORPORATION (US) 1997-11-05 EP disclosed
WO-1997016177-A9 METHOD OF INHIBITING CATHEPSIN K 1997-07-24 WO disclosed
WO-1997016177-A1 METHOD OF INHIBITING CATHEPSIN K SMITHKLINE BEECHAM CORPORATION (US) 1997-05-09 WO disclosed