SCHEMBL29019455

SCHEMBL29019455

CC(C)(C)OC(=O)NC(CC(N)S)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.47
▸ CTSK P43235 6/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ PPARA Q07869 7/20 0.44
▸ PPARG P37231 6/20 0.44
▸ ACE P12821 1/20 0.43
▸ PPARD Q03181 2/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41

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
SCHEMBL28356321 0.87 CTSK (0.43) CTSSCTSKCTSLCTSBCA1
SCHEMBL18987919 0.85 CTSK (0.51) CTSSCTSKCTSLCTSBPPARA
SCHEMBL24099502 0.85 CTSS (0.48) CTSSCTSKCTSLCTSBPPARA
SCHEMBL22118348 0.85 CTSK (0.51) CTSSCTSKCTSLCTSBPPARA
SCHEMBL1543218 0.85 CTSK (0.51) CTSSCTSKCTSLCTSBPPARA
Hydrochloric Acid SCHEMBL1094814 0.83 CTSS (0.46) CTSSCTSKCTSLCTSBPPARA
Hydrazine SCHEMBL8410651 0.82 CTSL (0.62) CTSSCTSKCTSLCTSBCA1
SCHEMBL17559 0.81 CTSL (0.66) CTSSCTSKCTSLCTSBCA1
SCHEMBL66243 0.81 CTSL (0.66) CTSSCTSKCTSLCTSBCA1
SCHEMBL17560 0.81 CTSL (0.66) CTSSCTSKCTSLCTSBCA1

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
CN-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 — — CN disclosed
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