SCHEMBL31226653

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)CC

nearest known ligand 0.56

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	XIAP	P98170	1/20	0.56

▸	CAPN1	P07384	4/20	0.48

▸	CTSB	P07858	1/20	0.46

▸	NPY1R	P25929	2/20	0.45

▸	NPY2R	P49146	1/20	0.45

▸	NPY4R	P50391	1/20	0.45

▸	NPY5R	Q15761	1/20	0.45

▸	NTSR2	O95665	10/20	0.44

▸	NTSR1	P30989	10/20	0.44

▸	SORT1	Q99523	9/20	0.43

▸	POLB	P06746	1/20	0.43

▸	REN	P00797	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.

Compound	similarity	top predicted	shared targets
SCHEMBL29456307	0.85	CAPN1 (0.52)	XIAPCAPN1CTSBNPY1RNPY2R
SCHEMBL30695687	0.85	XIAP (0.68)	XIAPNPY1RNPY2RNPY4RNPY5R
SCHEMBL30785952	0.84	XIAP (0.54)	XIAPCAPN1CTSBNPY1RNPY2R
SCHEMBL29883331	0.82	XIAP (0.49)	XIAPNPY1RNPY2RNPY4RNPY5R
SCHEMBL29590984	0.82	NTSR2 (0.49)	CAPN1NTSR2NTSR1SORT1REN
SCHEMBL31235878	0.81	NTSR1 (0.48)	XIAPNPY1RNPY2RNPY4RNPY5R
SCHEMBL31235876	0.81	NTSR1 (0.48)	XIAPCAPN1NPY1RNPY2RNPY4R
SCHEMBL30518982	0.81	CAPN1 (0.53)	XIAPCAPN1CTSBNTSR2NTSR1
SCHEMBL30051358	0.81	ACE (0.48)	XIAPREN
SCHEMBL31020747	0.81	CAPN1 (0.48)	XIAPCAPN1CTSBNPY1RNPY2R

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-118772234-A	Anti-inflammatory polypeptide and preparation method and application thereof	北京联合大学	2024-10-15	—	—	CN	disclosed