SCHEMBL6063007

SCHEMBL6063007

CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(CCc1ccccc1)C(O)c1nc2cc3ccccc3cc2o1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.51
CTSB P07858 2/20 0.49
CTSK P43235 9/20 0.49
PSMB1 P20618 1/20 0.49
CTSS P25774 5/20 0.47

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
SCHEMBL7049064 0.84 CTSL (0.55) CTSLCTSBCTSKCTSS
SCHEMBL7734143 0.82 ATM (0.46) CTSLCTSB
SCHEMBL6062791 0.82 CTSL (0.54) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL6062616 0.80 CTSL (0.53) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL6061832 0.80 CTSL (0.52) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL6467335 0.79 CTSL (0.51) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL7043370 0.78 CA5A (0.51) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL6465270 0.78 MMP3 (0.52) CTSLCTSBCTSKPSMB1
SCHEMBL6062759 0.78 PSMB1 (0.55) CTSLCTSBCTSKPSMB1CTSS
SCHEMBL7042138 0.78 CTSL (0.58) CTSLCTSBCTSKPSMB1CTSS

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 3 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
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed