SCHEMBL10718485

SCHEMBL10718485

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ REN P00797 14/20 0.42
▸ PGC P20142 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ CCKAR P32238 1/20 0.39

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
SCHEMBL7284110 0.90 CTSS (0.44) CTSSCTSKRENPGCSCN9A
SCHEMBL10718613 0.88 CTSL (0.45) CTSSCTSKREN
SCHEMBL7277213 0.88 REN (0.44) CTSSCTSKREN
SCHEMBL7307293 0.87 CTSS (0.44) CTSSCTSKRENPGC
SCHEMBL7307303 0.85 CTSS (0.43) CTSSCTSKRENPGC
SCHEMBL7283369 0.85 CTSS (0.40) CTSSCTSKRENPGC
SCHEMBL10422425 0.84 REN (0.45) CTSSCTSKRENPGC
SCHEMBL7363123 0.83 REN (0.43) CTSSCTSKRENPGC
SCHEMBL10715871 0.82 CTSS (0.43) CTSSCTSKRENPGCSCN9A
SCHEMBL7283203 0.82 CTSL (0.43) CTSSREN

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-0209848-A2 Enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 — — EP claimed
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