SCHEMBL6681920

SCHEMBL6681920

CCOC(=O)c1nc(C(CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)cs1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.52
CTSL P07711 5/20 0.52
CTSB P07858 2/20 0.52
CAPN1 P07384 2/20 0.50
PTPRB P23467 2/20 0.48

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
SCHEMBL6683405 1.00 CTSK (0.52) CTSKCTSLCTSBCAPN1PTPRB
SCHEMBL5934812 1.00 CTSK (0.52) CTSKCTSLCTSBCAPN1PTPRB
SCHEMBL5935088 0.95 CTSK (0.58) CTSKCTSLCTSBCAPN1
SCHEMBL6685164 0.95 CTSK (0.58) CTSKCTSLCTSBCAPN1
SCHEMBL6687789 0.94 CTSK (0.57) CTSKCTSLCTSBCAPN1
SCHEMBL5935098 0.94 CTSK (0.57) CTSKCTSLCTSBCAPN1
SCHEMBL6684776 0.91 CTSK (0.60) CTSKCTSLCTSBCAPN1
SCHEMBL5934876 0.91 CTSK (0.60) CTSKCTSLCTSBCAPN1
SCHEMBL7967826 0.91 CTSK (0.54) CTSKCTSLCTSB
SCHEMBL7159544 0.91 CTSK (0.54) CTSKCTSLCTSB

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 1 patent. 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 disclosed