SCHEMBL29403763

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	OPRD1	P41143	8/20	0.58

▸	OPRM1	P35372	1/20	0.51

▸	KEAP1	Q14145	1/20	0.51

▸	CALCR	P30988	3/20	0.51

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
SCHEMBL29403705	0.87	IL23R (0.55)	OPRD1
SCHEMBL29583466	0.87	OPRD1 (0.64)	OPRD1
SCHEMBL29695588	0.86	OPRD1 (0.54)	OPRD1KEAP1
SCHEMBL29500565	0.86	OPRD1 (0.54)	OPRD1KEAP1
SCHEMBL30712889	0.85	CALCR (0.58)	OPRD1KEAP1CALCR
SCHEMBL6887945	0.84	OPRD1 (0.55)	OPRD1OPRM1
SCHEMBL6887928	0.84	OPRD1 (0.55)	OPRD1OPRM1
SCHEMBL30712947	0.83	CALCR (0.59)	OPRD1KEAP1CALCR
SCHEMBL30605203	0.82	OPRD1 (0.52)	OPRD1OPRM1
SCHEMBL31040682	0.81	OPRD1 (0.58)	OPRD1OPRM1

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-114177199-A	Polypeptide-modified gold cluster and application of polypeptide-modified gold cluster in resisting tumor invasion and metastasis by inhibiting activity of cathepsin B	北京工业大学	2022-03-15	—	—	CN	disclosed