SCHEMBL31544052

NC(=O)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ECE1	P42892	2/20	0.39

▸	PTGS1	P23219	1/20	0.38

▸	GSTK1	Q9Y2Q3	1/20	0.38

▸	MEN1	O00255	1/20	0.37

▸	KMT2A	Q03164	1/20	0.37

▸	PDCD1LG2	Q9BQ51	1/20	0.37

▸	CD274	Q9NZQ7	1/20	0.37

▸	OPRM1	P35372	2/20	0.36

▸	OPRD1	P41143	2/20	0.36

▸	CA2	P00918	1/20	0.36

▸	CA4	P22748	1/20	0.36

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
SCHEMBL31544027	1.00	ECE1 (0.39)	ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL31544030	1.00	ECE1 (0.39)	ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL31544036	1.00	ECE1 (0.39)	ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL31544026	0.98	ECE1 (0.39)	ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL31544019	0.98	ECE1 (0.39)	ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL31544014	0.95	PDCD1LG2 (0.41)	ECE1PTGS1GSTK1MEN1KMT2A
SCHEMBL31544039	0.95	MME (0.39)	ECE1PTGS1GSTK1PDCD1LG2CD274
SCHEMBL31544005	0.95	MME (0.39)	ECE1PTGS1GSTK1PDCD1LG2CD274
SCHEMBL31544022	0.95	MME (0.39)	ECE1PTGS1GSTK1PDCD1LG2CD274
SCHEMBL31544034	0.95	MME (0.39)	ECE1PTGS1GSTK1PDCD1LG2CD274

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-119874843-B	Cyclic peptide for promoting bone formation and modified substance thereof	南方医科大学第三附属医院（广东省骨科研究院）	2025-06-10	—	—	CN	disclosed
CN-119874843-A	Cyclic peptide for promoting bone formation and modified substance thereof	南方医科大学第三附属医院（广东省骨科研究院）	2025-04-25	—	—	CN	disclosed