SCHEMBL9728255

SCHEMBL9728255

CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(=O)NC(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C(=O)O)C(C)(C)S)C(C)(C)S

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.54
▸ CTSL P07711 2/20 0.46
▸ CTSS P25774 9/20 0.46
▸ CTSK P43235 8/20 0.46
▸ CTSB P07858 4/20 0.45
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ REN P00797 1/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ PSMB9 P28065 1/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ PSMB10 P40306 1/20 0.41
▸ PSMB2 P49721 1/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ AKT1 P31749 1/20 0.40

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
SCHEMBL9728261 1.00 OPRM1 (0.54) OPRM1CTSLCTSSCTSKCTSB
SCHEMBL9727701 0.92 OPRM1 (0.63) OPRM1CTSLCTSSCTSKCTSB
SCHEMBL9728253 0.90 OPRM1 (0.59) OPRM1CTSLCTSSCTSKCTSB
SCHEMBL9499408 0.89 CTSS (0.53) CTSLCTSSCTSKCTSBPPARG
SCHEMBL9499402 0.89 CTSS (0.53) CTSLCTSSCTSKCTSBPPARG
SCHEMBL9728357 0.85 OPRM1 (0.57) OPRM1ACE
SCHEMBL9728367 0.85 OPRM1 (0.57) OPRM1ACE
SCHEMBL9727738 0.82 OPRM1 (0.68) OPRM1CTSLCTSSCTSKCTSB
SCHEMBL9728033 0.80 OPRM1 (0.66) OPRM1
SCHEMBL9728154 0.80 OPRM1 (0.66) OPRM1

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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