SCHEMBL29651365

SCHEMBL29651365

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC1CC1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 2/20 0.60
▸ CTSL P07711 1/20 0.60
▸ CTSB P07858 1/20 0.60
▸ ATM Q13315 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ ACE P12821 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ SCN9A Q15858 4/20 0.55
▸ REN P00797 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ AKT1 P31749 1/20 0.53

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
SCHEMBL28269140 1.00 CTSS (0.60) CTSSCTSKCTSLCTSBATM
SCHEMBL28269142 1.00 CTSS (0.60) CTSSCTSKCTSLCTSBATM
SCHEMBL28269133 0.91 CTSS (0.60) CTSSCTSKCTSLCTSBATM
SCHEMBL29651391 0.91 CTSS (0.60) CTSSCTSKCTSLCTSBATM
SCHEMBL28269137 0.91 CTSS (0.60) CTSSCTSKCTSLCTSBATM
SCHEMBL28768596 0.89 CTSS (0.56) CTSSCTSKCTSLCTSBATM
SCHEMBL29651392 0.89 CTSS (0.56) CTSSCTSKCTSLCTSBATM
SCHEMBL28768595 0.89 CTSS (0.56) CTSSCTSKCTSLCTSBATM
SCHEMBL28269239 0.89 CTSS (0.56) CTSSCTSKCTSLCTSBATM
SCHEMBL28269240 0.89 CTSS (0.56) CTSSCTSKCTSLCTSBATM

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-109280075-B Peptide amide compound, preparation method and medical application thereof 四川海思科制药有限公司 2022-05-20 — — CN disclosed
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