SCHEMBL28270754

SCHEMBL28270754

CCOC(=O)C(CC1CC1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

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
▸ REN P00797 2/20 0.53
▸ ATM Q13315 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SCN9A Q15858 3/20 0.51
▸ AKT1 P31749 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ACE P12821 1/20 0.49

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
SCHEMBL28270759 1.00 CTSS (0.56) CTSSCTSKCTSLCTSBREN
SCHEMBL28269240 0.92 CTSS (0.56) CTSSCTSKCTSLCTSBREN
SCHEMBL28269239 0.92 CTSS (0.56) CTSSCTSKCTSLCTSBREN
SCHEMBL28768596 0.92 CTSS (0.56) CTSSCTSKCTSLCTSBREN
SCHEMBL29651392 0.92 CTSS (0.56) CTSSCTSKCTSLCTSBREN
SCHEMBL28768595 0.92 CTSS (0.56) CTSSCTSKCTSLCTSBREN
SCHEMBL28269133 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBREN
SCHEMBL28269137 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBREN
SCHEMBL29651391 0.89 CTSS (0.60) CTSSCTSKCTSLCTSBREN
SCHEMBL1273042 0.84 CTSS (0.64) 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 2 patents. 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
CN-109280075-A Peptide amide class compound and preparation method thereof and purposes in medicine 四川海思科制药有限公司 2019-01-29 — — CN disclosed
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