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SCHEMBL9501550

SCHEMBL9501550

CC(C)(C)OC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](C(=O)O)C(C)(C)S

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.52
▸ CTSK P43235 6/20 0.52
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ SCN9A Q15858 3/20 0.44
▸ PPARG P37231 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ REN P00797 2/20 0.42
▸ ACE P12821 1/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL9501559 1.00 CTSS (0.52) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL9499306 0.94 CTSS (0.52) CTSSCTSKCTSLCTSBPPARG
SCHEMBL9499297 0.94 CTSS (0.52) CTSSCTSKCTSLCTSBPPARG
SCHEMBL9496746 0.92 PPARG (0.47) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL9496752 0.92 PPARG (0.47) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL9498778 0.87 CTSS (0.66) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL9498770 0.87 CTSS (0.66) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL9497632 0.87 KIF11 (0.54) —
SCHEMBL9497645 0.87 KIF11 (0.54) —
SCHEMBL9498146 0.86 OPRM1 (0.49) CTSSCTSKCTSLCTSBPPARG

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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