SCHEMBL29651392

SCHEMBL29651392

CCOC(=O)[C@@H](CCC1CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.56
▸ CTSK P43235 3/20 0.56
▸ CTSL P07711 1/20 0.56
▸ CTSB P07858 1/20 0.56
▸ SCN9A Q15858 5/20 0.52
▸ ATM Q13315 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ REN P00797 1/20 0.51
▸ AKT1 P31749 1/20 0.50
▸ MEN1 O00255 1/20 0.50

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
SCHEMBL28269239 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL28768595 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL28768596 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL28269240 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL28270754 0.92 CTSS (0.56) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL28270759 0.92 CTSS (0.56) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL28269142 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL28269140 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL29651365 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBSCN9A
SCHEMBL28766261 0.87 CTSS (0.57) CTSSCTSKCTSLCTSBSCN9A

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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