SCHEMBL29403705

CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=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)O

nearest known ligand 0.55

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	2/20	0.55

▸	C5AR1	P21730	1/20	0.52

▸	OPRD1	P41143	6/20	0.52

▸	KDM1A	O60341	1/20	0.49

▸	MAOB	P27338	1/20	0.49

▸	KDM5A	P29375	1/20	0.49

▸	KDM1B	Q8NB78	1/20	0.49

▸	EPHA2	P29317	1/20	0.48

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
SCHEMBL29695588	0.97	OPRD1 (0.54)	IL23RC5AR1OPRD1EPHA2
SCHEMBL29500565	0.97	OPRD1 (0.54)	IL23RC5AR1OPRD1EPHA2
SCHEMBL30605203	0.92	OPRD1 (0.52)	IL23RC5AR1OPRD1
SCHEMBL30483821	0.92	OPRD1 (0.54)	IL23RC5AR1OPRD1
SCHEMBL31078160	0.92	OPRD1 (0.54)	IL23RC5AR1OPRD1
SCHEMBL6889227	0.92	OPRD1 (0.54)	IL23RC5AR1OPRD1
SCHEMBL6889257	0.92	OPRD1 (0.54)	IL23RC5AR1OPRD1
SCHEMBL30483833	0.90	OPRD1 (0.52)	C5AR1OPRD1KDM1AEPHA2
SCHEMBL31267098	0.88	EPHA2 (0.53)	IL23ROPRD1KDM1AEPHA2
SCHEMBL29583466	0.88	OPRD1 (0.64)	OPRD1

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