SCHEMBL6675104

SCHEMBL6675104

CC(C)COC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.54
CTSL P07711 5/20 0.51
CTSS P25774 4/20 0.51
CTSB P07858 4/20 0.51
MMP9 P14780 1/20 0.51
CASP1 P29466 2/20 0.50
SLC15A1 P46059 1/20 0.48
CAPN1 P07384 2/20 0.47
CAPN2 P17655 1/20 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
SCHEMBL20827012 0.95 CTSK (0.57) CTSKCTSLCTSSCTSBCASP1
Water SCHEMBL44988 0.94 CTSK (0.56) CTSKCTSLCTSSCTSBCASP1
SCHEMBL2912586 0.89 CASP1 (0.60) CTSKCTSLCTSSCTSBCASP1
SCHEMBL7583002 0.89 CASP1 (0.60) CTSKCTSLCTSSCTSBCASP1
SCHEMBL2912589 0.89 CASP1 (0.60) CTSKCTSLCTSSCTSBCASP1
SCHEMBL27919626 0.87 CTSK (0.57) CTSKCTSLCTSSCTSBCASP1
SCHEMBL755795 0.87 MMP9 (0.52) CTSKCTSLCTSSCTSBMMP9
SCHEMBL15850871 0.84 MMP9 (0.53) CTSKCTSLCTSSCTSBMMP9
SCHEMBL7975561 0.84 CASP1 (0.55) CTSKCTSLCTSSCTSBCASP1
SCHEMBL3012475 0.84 CASP1 (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627925-B1 TRYPSIN INHIBITORS DENDREON CORP (US) 2004-09-29 EP disclosed
EP-0627925-A4 TRYPSIN INHIBITORS. CORVAS INT INC (US) 1997-07-30 EP disclosed
US-5534498-A TREATMENT OF PANCREATITIS CORVAS INTERNATIONAL, INC. (US) 1996-07-09 US disclosed
EP-0627925-A1 TRYPSIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1994-12-14 EP disclosed
WO-1993014779-A1 TRYPSIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1993-08-05 WO disclosed