SCHEMBL31544041

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

nearest known ligand 0.41

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MME	P08473	3/20	0.39

▸	ECE1	P42892	2/20	0.37

▸	TGFBR1	P36897	1/20	0.37

▸	GNPAT	O15228	1/20	0.36

▸	KEAP1	Q14145	1/20	0.36

▸	QRFPR	Q96P65	2/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	ITGB3	P05106	3/20	0.35

▸	ITGB1	P05556	3/20	0.35

▸	ITGAV	P06756	3/20	0.35

▸	ITGA5	P08648	3/20	0.35

▸	MDM4	O15151	2/20	0.35

▸	MDM2	Q00987	2/20	0.34

▸	CA2	P00918	1/20	0.34

▸	CA4	P22748	1/20	0.34

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
SCHEMBL31544053	1.00	MME (0.39)	MMEECE1TGFBR1GNPATKEAP1
SCHEMBL31544028	1.00	MME (0.39)	MMEECE1TGFBR1GNPATKEAP1
SCHEMBL31544008	1.00	MME (0.39)	MMEECE1TGFBR1GNPATKEAP1
SCHEMBL31544015	1.00	MME (0.39)	MMEECE1TGFBR1GNPATKEAP1
SCHEMBL31544013	0.98	ECE1 (0.40)	MMEECE1GNPATKEAP1QRFPR
SCHEMBL31544007	0.98	ECE1 (0.40)	MMEECE1GNPATKEAP1QRFPR
SCHEMBL31544012	0.98	ECE1 (0.40)	MMEECE1GNPATKEAP1QRFPR
SCHEMBL31544021	0.98	ECE1 (0.40)	MMEECE1GNPATKEAP1QRFPR
SCHEMBL31544006	0.98	ECE1 (0.40)	MMEECE1GNPATKEAP1QRFPR
SCHEMBL30526185	0.92	CA2 (0.40)	MMEGNPATKEAP1QRFPRITGB3

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