SCHEMBL7409158

SCHEMBL7409158

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.50
ITGB3 P05106 10/20 0.47
ITGA2B P08514 10/20 0.47
F2 P00734 1/20 0.47
PRSS1 P07477 1/20 0.47
CTSS P25774 1/20 0.46
ACE P12821 1/20 0.43
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42

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
SCHEMBL7409155 1.00 CTSK (0.50) CTSKITGB3ITGA2BF2PRSS1
SCHEMBL8254962 0.89 CTSK (0.50) CTSKITGB3ITGA2BF2PRSS1
SCHEMBL13766136 0.86 ITGB3 (0.47) ITGB3ITGA2BF2PRSS1ACE
SCHEMBL5916349 0.85 CMA1 (0.43) ITGB3ITGA2BF2PRSS1ACE
SCHEMBL9510956 0.84 KMT2A (0.52) CTSKF2PRSS1CTSSACE
SCHEMBL12463881 0.84 CMA1 (0.49) ITGB3ITGA2BF2PRSS1ACE
SCHEMBL6913217 0.83 CMA1 (0.43) ITGB3ITGA2BF2PRSS1ACE
SCHEMBL6887770 0.83 CMA1 (0.43) ITGB3ITGA2BF2PRSS1ACE
SCHEMBL13667609 0.83 ACE (0.55) CTSKITGB3ITGA2BF2PRSS1
SCHEMBL12784960 0.83 ITGB3 (0.47) ITGB3ITGA2BF2PRSS1ACE

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
US-5244884-A Tripeptide THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-09-14 US disclosed