SCHEMBL11436866

SCHEMBL11436866

CC(C)(C)OC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.65
▸ CTSK P43235 6/20 0.65
▸ PPARA Q07869 3/20 0.55
▸ CTSB P07858 2/20 0.53
▸ CTSL P07711 1/20 0.53
▸ PPARG P37231 2/20 0.53
▸ ACE P12821 2/20 0.51
▸ ITGB3 P05106 1/20 0.51
▸ ITGA2B P08514 1/20 0.51
▸ REN P00797 1/20 0.48
▸ BCL2 P10415 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ AKT1 P31749 1/20 0.47
▸ MME P08473 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL28630396 0.92 CTSS (0.72) CTSSCTSKPPARACTSBCTSL
SCHEMBL14190232 0.91 CTSS (0.64) CTSSCTSKPPARACTSBCTSL
SCHEMBL29824479 0.88 CTSS (0.68) CTSSCTSKPPARACTSBCTSL
SCHEMBL30645713 0.87 CTSS (0.67) CTSSCTSKPPARACTSBCTSL
SCHEMBL231981 0.87 CTSS (0.71) CTSSCTSKPPARACTSBCTSL
SCHEMBL1310547 0.87 CTSS (0.71) CTSSCTSKPPARACTSBCTSL
SCHEMBL231980 0.87 CTSS (0.71) CTSSCTSKPPARACTSBCTSL
SCHEMBL30698082 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLACE
Benzene SCHEMBL3925161 0.85 CTSS (0.70) CTSSCTSKPPARACTSBCTSL
Benzene SCHEMBL6474758 0.85 CTSS (0.70) CTSSCTSKPPARACTSBCTSL

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-4199568-A Tetrapeptide amides RECKITT & COLMAN PRODUCTS LIMITED (GB) 1980-04-22 — — US disclosed
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