SCHEMBL811845

SCHEMBL811845

CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)C(=O)CF)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.43
CASP3 P42574 2/20 0.43
CASP9 P55211 2/20 0.43
CASP7 P55210 1/20 0.43
GNPAT O15228 1/20 0.43
BACE1 P56817 9/20 0.41
BACE2 Q9Y5Z0 3/20 0.41
ENPEP Q07075 5/20 0.39
BMP1 P13497 2/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL2564476 0.89 BACE1 (0.45) CASP1CASP3CASP9CASP7BACE1
SCHEMBL18037135 0.88 CASP1 (0.43) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL29576249 0.88 GNPAT (0.44) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL6534663 0.85 GNPAT (0.54) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL7166591 0.85 GNPAT (0.48) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL22310788 0.84 GNPAT (0.47) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL7157952 0.81 GNPAT (0.44) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL29487532 0.81 GNPAT (0.44) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL31634368 0.81 KDM4E (0.51) CASP1CASP3CASP9CASP7GNPAT
SCHEMBL2038936 0.80 CASP3 (0.69) CASP1CASP3CASP9CASP7

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090232866-A1 Oligopeptides as coating material for medical products HEMOTEQ AG (DE) 2009-09-17 US claimed
JP-2007507264-A 2007-03-29 JP claimed
EP-1670502-A2 OLIGOPEPTIDES AS COATING MATERIAL FOR MEDICAL PRODUCTS Hemoteq GmbH (DE) 2006-06-21 EP claimed
WO-2005039629-A2 CASPASE INHIBITORS AS COATING MATERIEL FOR MEDICAL PRODUCTS FOR INHIBITING RESTENOSIS HEMOTEQ GMBH (DE) 2005-05-06 WO claimed
EP-2380586-A2 Oligopeptides as coating material for medical products Hemoteq AG (DE) 2011-10-26 EP disclosed
US-8038443-B2 Fixture mount fixing tool GC CORPORATION (JP) 2011-10-18 US disclosed
US-20090232866-A1 Oligopeptides as coating material for medical products HEMOTEQ AG (DE) 2009-09-17 US disclosed
EP-1670502-A2 OLIGOPEPTIDES AS COATING MATERIAL FOR MEDICAL PRODUCTS Hemoteq GmbH (DE) 2006-06-21 EP disclosed
WO-2005039629-A2 CASPASE INHIBITORS AS COATING MATERIEL FOR MEDICAL PRODUCTS FOR INHIBITING RESTENOSIS HEMOTEQ GMBH (DE) 2005-05-06 WO disclosed