SCHEMBL8614151

SCHEMBL8614151

CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.60
CTSS P25774 3/20 0.60
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
ACE P12821 3/20 0.53
MME P08473 2/20 0.53
CPA1 P15085 2/20 0.53
ACE2 Q9BYF1 2/20 0.53
REN P00797 1/20 0.52
OPRD1 P41143 6/20 0.49
CCKBR P32239 5/20 0.49
CCKAR P32238 5/20 0.49

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
SCHEMBL11345784 0.96 CTSK (0.63) CTSKCTSSITGB3ITGA2BACE
SCHEMBL8145513 0.90 CTSK (0.56) CTSKCTSSRENOPRD1CCKBR
SCHEMBL28630396 0.90 CTSS (0.72) CTSKCTSSITGB3ITGA2BACE
SCHEMBL31383409 0.89 CTSS (0.58) CTSKCTSSITGB3ITGA2BACE
SCHEMBL30772338 0.89 CTSS (0.58) CTSKCTSSITGB3ITGA2BACE
SCHEMBL11125595 0.89 CTSK (0.63) CTSKCTSSRENOPRD1CCKBR
SCHEMBL28799360 0.89 CTSS (0.60) CTSKCTSSITGB3ITGA2BACE
SCHEMBL28799353 0.89 CTSS (0.60) CTSKCTSSITGB3ITGA2BACE
SCHEMBL11346677 0.88 CTSK (0.59) CTSKCTSSRENOPRD1CCKBR
SCHEMBL231980 0.87 CTSS (0.71) CTSKCTSSITGB3ITGA2BACE

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
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed