SCHEMBL30753164

CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	6/20	0.56

▸	CXCL8	P10145	5/20	0.55

▸	NMUR1	Q9HB89	5/20	0.52

▸	REN	P00797	1/20	0.51

▸	BACE1	P56817	4/20	0.50

▸	CALCRL	Q16602	1/20	0.50

▸	F2	P00734	1/20	0.49

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
SCHEMBL30753167	0.97	NMUR2 (0.57)	NMUR2CXCL8NMUR1RENBACE1
SCHEMBL30753165	0.95	BACE1 (0.54)	NMUR2CXCL8NMUR1RENBACE1
SCHEMBL29588428	0.86	SLC6A2 (0.55)	NMUR2NMUR1RENBACE1CALCRL
SCHEMBL32677399	0.86	BACE1 (0.53)	NMUR2RENBACE1CALCRLF2
SCHEMBL29755299	0.85	KEAP1 (0.58)	NMUR2NMUR1F2
SCHEMBL31433181	0.84	KEAP1 (0.60)	NMUR2CXCL8NMUR1F2
SCHEMBL29654647	0.84	KEAP1 (0.55)	NMUR2CXCL8NMUR1RENF2
SCHEMBL28915426	0.84	NMUR2 (0.58)	NMUR2NMUR1
SCHEMBL28915423	0.84	NMUR2 (0.58)	NMUR2NMUR1
SCHEMBL29579575	0.83	CMA1 (0.58)	F2

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-117462650-B	Application of polypeptide A in promoting bone regeneration or bone repair	南京中医药大学	2024-09-24	—	—	CN	disclosed
CN-117462650-A	Application of polypeptide A in promoting bone regeneration or bone repair	南京中医药大学	2024-01-30	—	—	CN	disclosed