SCHEMBL7445093

SCHEMBL7445093

CC(=O)OC(C#N)C(CC#CCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.47
SYK P43405 1/20 0.47
CTSK P43235 8/20 0.45
CTSL P07711 7/20 0.45
CTSB P07858 5/20 0.45
MAPT P10636 1/20 0.44
PPARA Q07869 1/20 0.40

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
SCHEMBL7443876 0.85 CTSL (0.48) CTSSCTSKCTSLCTSB
SCHEMBL22885981 0.82 CTSS (0.57) CTSSCTSKCTSLCTSB
SCHEMBL13430765 0.81 MAPT (0.54) CTSSSYKCTSLCTSBMAPT
SCHEMBL29458852 0.77 SYK (0.58) CTSSSYKCTSKCTSLCTSB
SCHEMBL18662370 0.76 CTSS (0.54) CTSSCTSKCTSLCTSB
SCHEMBL17275392 0.76 CTSS (0.54) CTSSCTSKCTSLCTSB
SCHEMBL7894697 0.74 YAP1 (0.47) CTSSCTSKCTSLCTSBMAPT
SCHEMBL27492185 0.74 YAP1 (0.47) CTSSCTSKCTSLCTSBMAPT
SCHEMBL29458707 0.73 MAPT (0.62) CTSSSYKCTSKMAPT
SCHEMBL11639550 0.73 PPARA (0.54) CTSSSYKCTSKCTSLCTSB

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-0886647-B1 SERINE PROTEASE INHIBITORS AKZO NOBEL NV (NL) 2002-07-24 EP disclosed
US-6410684-B1 ENZYME INHIBITOR FOR USE IN THE TREATMENT OF THROMBOSIS AKZO NOBEL N.V. (NL) 2002-06-25 US disclosed
EP-0886647-A1 SERINE PROTEASE INHIBITORS Akzo Nobel N.V. (NL) 1998-12-30 EP disclosed
WO-1997031937-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-09-04 WO disclosed