SCHEMBL9728227

SCHEMBL9728227

CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(=O)O)C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.44
▸ CTSK P43235 11/20 0.44
▸ CTSB P07858 3/20 0.42
▸ CTSL P07711 1/20 0.42
▸ PPARG P37231 3/20 0.39
▸ PPARA Q07869 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PPARD Q03181 2/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL9337445 0.89 TSHR (0.42) CTSSCTSKCTSBCTSLPPARG
SCHEMBL9335239 0.84 PPARA (0.44) CTSSCTSKCTSBCTSLPPARG
SCHEMBL4864593 0.84 PPARA (0.44) CTSSCTSKCTSBCTSLPPARG
SCHEMBL9334048 0.82 KLK5 (0.42) CTSSCTSKCTSBCTSLPPARG
SCHEMBL9728488 0.81 ACE (0.48) CTSSCTSKCTSBCTSLPPARG
SCHEMBL13970822 0.80 CTSS (0.50) CTSSCTSKCTSBCTSLPPARG
SCHEMBL12194647 0.79 CTSS (0.49) CTSSCTSKCTSBCTSL
SCHEMBL9335243 0.76 PPID (0.43) PPARA
SCHEMBL11388207 0.74 CTSS (0.74) CTSSCTSKCTSBCTSLATM
SCHEMBL431474 0.73 CYP2C19 (0.38) —

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-5169833-A Analgesics G. D. SEARLE & CO. (US) 1992-12-08 — — US disclosed
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