SCHEMBL31383409

SCHEMBL31383409

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.58
CTSK P43235 3/20 0.58
ITGB3 P05106 5/20 0.53
ITGA2B P08514 5/20 0.53
ACE P12821 2/20 0.50
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
NPY4R P50391 1/20 0.49
NPPA P01160 1/20 0.48
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48
REN P00797 1/20 0.47

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
SCHEMBL30772338 1.00 CTSS (0.58) CTSSCTSKITGB3ITGA2BACE
SCHEMBL31181957 0.96 CTSS (0.61) CTSSCTSKITGB3ITGA2BACE
SCHEMBL30645671 0.96 CTSS (0.61) CTSSCTSKITGB3ITGA2BACE
SCHEMBL30645691 0.93 CTSS (0.62) CTSSCTSKITGB3ITGA2BACE
SCHEMBL31389330 0.93 CTSS (0.53) CTSSCTSKITGB3ITGA2BACE
SCHEMBL11038196 0.92 ACE (0.60) CTSSCTSKITGB3ITGA2BACE
SCHEMBL11038198 0.92 ACE (0.60) CTSSCTSKITGB3ITGA2BACE
SCHEMBL8614151 0.89 CTSK (0.60) CTSSCTSKITGB3ITGA2BACE
SCHEMBL28799360 0.89 CTSS (0.60) CTSSCTSKITGB3ITGA2BACE
SCHEMBL28799353 0.89 CTSS (0.60) CTSSCTSKITGB3ITGA2BACE

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-119731239-A Iodinated crosslinked hydrogels and methods of forming the same 波士顿科学医学有限公司 2025-03-28 CN disclosed
CN-119731240-A Iodine labeled hydrogels and precursors thereof with improved properties 波士顿科学医学有限公司 2025-03-28 CN disclosed