SCHEMBL31122220

SCHEMBL31122220

O=C(O)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSMB9 P28065 1/20 0.46
▸ CALCRL Q16602 2/20 0.46
▸ CTSC P53634 1/20 0.44
▸ ACE P12821 8/20 0.44
▸ ACE2 Q9BYF1 3/20 0.43
▸ REN P00797 1/20 0.43
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ CMA1 P23946 1/20 0.42

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
SCHEMBL11024590 0.88 ACE (0.54) CTSCACEACE2
SCHEMBL29580104 0.88 CALCRL (0.56) PSMB9CALCRLRENCMA1
SCHEMBL31122219 0.87 CALCRL (0.49) PSMB9CALCRLACE
SCHEMBL30434146 0.84 REN (0.49) PSMB9CALCRLCTSCACEREN
SCHEMBL10777748 0.84 REN (0.51) ACEACE2REN
SCHEMBL10791014 0.84 CTSC (0.60) CALCRLCTSCACEREN
SCHEMBL10790985 0.84 CTSC (0.60) CALCRLCTSCACEREN
SCHEMBL29580266 0.83 CMA1 (0.54) CTSCRENCMA1
SCHEMBL30829334 0.82 CTSC (0.51) CTSCACEACE2RENCMA1
SCHEMBL30325318 0.80 CTSC (0.47) CALCRLCTSCREN

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-118403146-A Application of polypeptide PEP-Z-2 in preparation of medicines for treating kidney fibrosis 中国医学科学院药物研究所 2024-07-30 — — CN disclosed
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