SCHEMBL27469415

SCHEMBL27469415

CCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.52
CTSS P25774 3/20 0.52
ITGB3 P05106 10/20 0.48
ITGA2B P08514 10/20 0.48
TSHR P16473 1/20 0.47
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL9103036 0.97 CTSK (0.52) CTSKCTSSITGB3ITGA2BTSHR
SCHEMBL9103039 0.97 CTSK (0.52) CTSKCTSSITGB3ITGA2BTSHR
SCHEMBL1706617 0.88 CTSK (0.54) CTSKCTSSITGB3ITGA2BTSHR
SCHEMBL1707105 0.88 CTSK (0.54) CTSKCTSSITGB3ITGA2BTSHR
SCHEMBL1706616 0.88 CTSK (0.54) CTSKCTSSITGB3ITGA2BTSHR
SCHEMBL4767454 0.87 ITGB3 (0.47) CTSKCTSSITGB3ITGA2BTSHR
SCHEMBL4916101 0.87 ITGB3 (0.50) CTSKCTSSITGB3ITGA2BTSHR
SCHEMBL4916104 0.87 ITGB3 (0.50) CTSKCTSSITGB3ITGA2BTSHR
SCHEMBL4767490 0.87 ITGB3 (0.47) CTSKCTSSITGB3ITGA2BTSHR
SCHEMBL4933439 0.87 CTSK (0.52) CTSKCTSSITGB3ITGA2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1164573-C Novel alpha-amino acid compound, its preparation process and medicinal composition contaiing same ɪά��ʵ���� 2004-09-01 CN disclosed
CN-1385421-A Novel alpha-amino acid compound, its preparation process and medicinal composition contaiing same SEWELL LTD (FR) 2002-12-18 CN disclosed