SCHEMBL14850864

SCHEMBL14850864

CC(C)(C)OC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
CTSK P43235 6/20 0.45
CTSS P25774 3/20 0.45
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL14850692 0.99 ITGB3 (0.47) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL14850855 0.99 ITGB3 (0.47) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL14850788 0.96 ITGB3 (0.45) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL16435346 0.94 CTSS (0.45) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL14850693 0.89 TSHR (0.41) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL556760 0.89 CTSK (0.44) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL16435379 0.88 PREP (0.48) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL16435378 0.88 CTSK (0.48) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL14850695 0.88 TSHR (0.41) ITGB3ITGA2BCTSKCTSSCTSL
SCHEMBL29990568 0.88 TSHR (0.41) ITGB3ITGA2BCTSKCTSSCTSL

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
WO-2013050721-A1 COMPOUNDS THAT TRAP ALPHA-OXOALDEHYDES AND ALPHA-BETA-UNSATURATED ALDEHYDES, META-COMPOUNDS CONTAINING SUCH COMPOUNDS, AND USE OF SAID COMPOUNDS IN TREATING ILLNESSES RELATED TO THE ACCUMULATION OF AGES AND ALES PHARMAMENS (FR) 2013-04-11 WO disclosed