SCHEMBL22068618

SCHEMBL22068618

CCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.65
▸ CTSK P43235 3/20 0.65
▸ PSENEN Q9NZ42 1/20 0.60
▸ CA2 P00918 3/20 0.47
▸ CTSD P07339 1/20 0.46
▸ CA1 P00915 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ BACE1 P56817 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
SCHEMBL22068619 1.00 CTSS (0.65) CTSSCTSKPSENENCA2CTSD
SCHEMBL31139352 0.96 CTSS (0.64) CTSSCTSKPSENENCA2CTSD
SCHEMBL31139338 0.96 CTSS (0.64) CTSSCTSKPSENENCA2CTSD
SCHEMBL8492297 0.94 CTSS (0.61) CTSSCTSKPSENENCA2CTSD
SCHEMBL8492292 0.94 CTSS (0.61) CTSSCTSKPSENENCA2CTSD
SCHEMBL18766187 0.94 CTSS (0.68) CTSSCTSKPSENENCA2
SCHEMBL11405307 0.94 CTSS (0.68) CTSSCTSKPSENENCA2
SCHEMBL4122350 0.90 CTSS (0.64) CTSSCTSKPSENENCA2
SCHEMBL4122354 0.90 CTSS (0.64) CTSSCTSKPSENENCA2
SCHEMBL11570829 0.89 CTSS (0.56) CTSSCTSKPSENENCA2CTSD

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-2820038-B1 GLP-1 PRODRUGS NOVO NORDISK AS (DK) 2020-06-17 — — EP disclosed
Send feedback