SCHEMBL5048258

SCHEMBL5048258

COC1CCC(N)(C(=O)O)C(C(=O)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.36
CTSK P43235 5/20 0.36
ITGB3 P05106 6/20 0.34
ITGA2B P08514 6/20 0.34
CTSL P07711 2/20 0.33
TSHR P16473 1/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
KMT2A Q03164 2/20 0.33
HDAC6 Q9UBN7 1/20 0.32
CTSB P07858 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL6477873 0.93 CTSS (0.34) CTSSCTSKITGB3ITGA2BCTSL
SCHEMBL6472444 0.80 CTSS (0.35) CTSSCTSKITGB3ITGA2BCTSL
SCHEMBL5048251 0.75 CTSL (0.42) CTSSCTSKITGB3ITGA2BCTSL
SCHEMBL6477869 0.71 CTSL (0.42) CTSSCTSKITGB3ITGA2BCTSL
SCHEMBL3049273 0.68 CTSK (0.47) CTSSCTSKCTSLNFKB1NFKB2
SCHEMBL2367410 0.68 CTSK (0.47) CTSSCTSKCTSLNFKB1NFKB2
SCHEMBL66303 0.67 CTSK (0.51) CTSSCTSKITGB3ITGA2BCTSL
SCHEMBL66302 0.67 CTSK (0.51) CTSSCTSKITGB3ITGA2BCTSL
SCHEMBL1360500 0.67 CTSK (0.51) CTSSCTSKITGB3ITGA2BCTSL
SCHEMBL3827244 0.66 CTSS (0.43) CTSSCTSKITGB3ITGA2BCTSL

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-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 US disclosed