SCHEMBL9499297

SCHEMBL9499297

CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)O)C(C)(C)S

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 5/20 0.52
▸ CTSK P43235 4/20 0.52
▸ CTSL P07711 3/20 0.52
▸ CTSB P07858 2/20 0.52
▸ ACE P12821 1/20 0.48
▸ REN P00797 4/20 0.47
▸ AKT1 P31749 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46
▸ PTPN1 P18031 1/20 0.43

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
SCHEMBL9499306 1.00 CTSS (0.52) CTSSCTSKCTSLCTSBACE
SCHEMBL9496752 0.94 PPARG (0.47) CTSSCTSKCTSLCTSBACE
SCHEMBL9496746 0.94 PPARG (0.47) CTSSCTSKCTSLCTSBACE
SCHEMBL9501559 0.94 CTSS (0.52) CTSSCTSKCTSLCTSBACE
SCHEMBL9501550 0.94 CTSS (0.52) CTSSCTSKCTSLCTSBACE
SCHEMBL9498132 0.91 OPRM1 (0.49) CTSSCTSKCTSLCTSBACE
SCHEMBL9498146 0.91 OPRM1 (0.49) CTSSCTSKCTSLCTSBACE
SCHEMBL9496833 0.91 CTSK (0.53) CTSSCTSKCTSLCTSBACE
SCHEMBL23154872 0.89 CTSS (0.58) CTSSCTSKCTSLCTSBACE
SCHEMBL30999386 0.89 CTSS (0.58) CTSSCTSKCTSLCTSBACE

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
US-5216124-A Analgesics G. D. SEARLE & CO. (US) 1993-06-01 — — US disclosed
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