SCHEMBL31544014

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

nearest known ligand 0.41

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PDCD1LG2	Q9BQ51	1/20	0.41

▸	CD274	Q9NZQ7	1/20	0.41

▸	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

▸	OPRM1	P35372	2/20	0.36

▸	OPRD1	P41143	2/20	0.36

▸	CA2	P00918	1/20	0.36

▸	CA4	P22748	1/20	0.36

▸	MME	P08473	2/20	0.36

▸	GNPAT	O15228	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
SCHEMBL31544011	0.98	PDCD1LG2 (0.41)	PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544025	0.98	PDCD1LG2 (0.41)	PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544031	0.98	PDCD1LG2 (0.41)	PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544050	0.98	PDCD1LG2 (0.41)	PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544020	0.98	PDCD1LG2 (0.41)	PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544032	0.98	PDCD1LG2 (0.41)	PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544003	0.98	PDCD1LG2 (0.41)	PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544035	0.98	PDCD1LG2 (0.41)	PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544046	0.98	PDCD1LG2 (0.41)	PDCD1LG2CD274ECE1PTGS1GSTK1
SCHEMBL31544052	0.95	ECE1 (0.39)	PDCD1LG2CD274ECE1PTGS1GSTK1

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