SCHEMBL7307293

SCHEMBL7307293

CC(C)C(C(=O)O)C(C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)NC(=O)OC(C)(C)C)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ REN P00797 18/20 0.43
▸ PGC P20142 1/20 0.41
▸ CTSE P14091 1/20 0.40

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
SCHEMBL7308672 0.91 REN (0.46) CTSSCTSKRENCTSE
SCHEMBL7363123 0.87 REN (0.43) CTSSCTSKRENPGC
SCHEMBL10718485 0.87 CTSS (0.47) CTSSCTSKRENPGC
SCHEMBL7284110 0.85 CTSS (0.44) CTSSCTSKRENPGC
SCHEMBL7307303 0.85 CTSS (0.43) CTSSCTSKRENPGCCTSE
SCHEMBL10422425 0.84 REN (0.45) CTSSCTSKRENPGC
SCHEMBL7303908 0.82 REN (0.49) CTSKREN
SCHEMBL7277213 0.80 REN (0.44) CTSSCTSKREN
SCHEMBL7283369 0.80 CTSS (0.40) CTSSCTSKRENPGC
SCHEMBL10718613 0.77 CTSL (0.45) CTSSCTSKREN

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-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
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