SCHEMBL6684776

SCHEMBL6684776

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)c1csc(C(=O)OCc2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.60
CTSL P07711 7/20 0.60
CTSB P07858 5/20 0.60
CTSS P25774 3/20 0.54
CAPN1 P07384 2/20 0.51
CAPN2 P17655 1/20 0.51

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
SCHEMBL5934876 1.00 CTSK (0.60) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL6685164 0.96 CTSK (0.58) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL5935088 0.96 CTSK (0.58) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL6687789 0.95 CTSK (0.57) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL5934875 0.95 CTSK (0.57) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL5935098 0.95 CTSK (0.57) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL5935001 0.95 CTSK (0.56) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL6693018 0.95 CTSK (0.56) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL6693027 0.95 CTSK (0.56) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL5934862 0.93 CTSK (0.61) CTSKCTSLCTSBCTSSCAPN1

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
WO-2004058238-A1 USE OF CATHEPSIN K INHIBITORS FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-15 WO claimed
WO-2004058238-A1 USE OF CATHEPSIN K INHIBITORS FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-15 WO disclosed