SCHEMBL7342176

SCHEMBL7342176

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

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.58
CTSL P07711 8/20 0.50
CTSS P25774 6/20 0.50
CTSB P07858 5/20 0.50
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44

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
SCHEMBL7450915 0.86 CTSK (0.60) CTSKCTSLCTSSCTSBCASP1
SCHEMBL7372135 0.86 CTSK (0.67) CTSKCTSLCTSSCTSBCASP1
SCHEMBL7346145 0.85 CTSK (0.73) CTSKCTSLCTSSCTSB
SCHEMBL27492433 0.80 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL7341638 0.80 CTSK (0.66) CTSKCTSLCTSSCTSB
SCHEMBL7379770 0.79 CTSK (0.54) CTSKCTSLCTSSCTSB
SCHEMBL7448242 0.78 CTSK (0.49) CTSKCTSLCTSSCTSBCASP1
SCHEMBL27472820 0.78 CTSK (0.49) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6581041 0.75 CTSK (0.88) CTSKCTSLCTSSCTSB
SCHEMBL7664379 0.75 CTSK (0.63) CTSKCTSLCTSSCTSBCASP1

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