SCHEMBL7363123

SCHEMBL7363123

CC(C)C(C(C(CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(Cc1cccc2ccccc12)NC(=O)OC(C)(C)C)P(=O)(O)O)N(C=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 18/20 0.43
▸ PGC P20142 1/20 0.41
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 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
SCHEMBL7307293 0.87 CTSS (0.44) RENPGCCTSSCTSK
SCHEMBL7283369 0.87 CTSS (0.40) RENPGCCTSSCTSK
SCHEMBL10718485 0.83 CTSS (0.47) RENPGCCTSSCTSK
SCHEMBL7308672 0.81 REN (0.46) RENCTSSCTSK
SCHEMBL7284110 0.80 CTSS (0.44) RENPGCCTSSCTSK
SCHEMBL10422425 0.79 REN (0.45) RENPGCCTSSCTSK
SCHEMBL7303908 0.79 REN (0.49) RENCTSK
SCHEMBL7307303 0.79 CTSS (0.43) RENPGCCTSSCTSK
SCHEMBL7277213 0.77 REN (0.44) RENCTSSCTSK
SCHEMBL10718613 0.77 CTSL (0.45) RENCTSSCTSK

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 disclosed
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