SCHEMBL9728488

SCHEMBL9728488

CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O)C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.48
▸ PPARG P37231 2/20 0.44
▸ PPARA Q07869 2/20 0.44
▸ CTSS P25774 5/20 0.44
▸ CTSK P43235 4/20 0.44
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ ATM Q13315 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ ITGB3 P05106 2/20 0.41
▸ ITGA2B P08514 2/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGB5 P18084 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ PSMB1 P20618 1/20 0.40
▸ PSMB8 P28062 1/20 0.40
▸ PSMB9 P28065 1/20 0.40
▸ PSMB5 P28074 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
SCHEMBL9728227 0.81 CTSS (0.44) PPARGPPARACTSSCTSKCTSL
SCHEMBL9728255 0.78 OPRM1 (0.54) ACEPPARGPPARACTSSCTSK
SCHEMBL9728261 0.78 OPRM1 (0.54) ACEPPARGPPARACTSSCTSK
SCHEMBL9337445 0.77 TSHR (0.42) PPARGPPARACTSSCTSKCTSL
SCHEMBL29511604 0.76 ACE (0.52) ACEPPARGPPARACTSSCTSK
SCHEMBL29511728 0.76 ACE (0.52) ACEPPARGPPARACTSSCTSK
SCHEMBL181849 0.76 PPARA (0.65) ACEPPARGPPARACTSSCTSK
SCHEMBL1309909 0.76 PPARA (0.65) ACEPPARGPPARACTSSCTSK
SCHEMBL181848 0.76 PPARA (0.65) ACEPPARGPPARACTSSCTSK
SCHEMBL29511703 0.76 PPARG (0.56) ACEPPARGPPARACTSSCTSK

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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