SCHEMBL30512638

CSCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	NMUR2	Q9GZQ4	2/20	0.45

▸	NMUR1	Q9HB89	1/20	0.45

▸	CXCL8	P10145	5/20	0.41

▸	F2R	P25116	2/20	0.41

▸	NAA50	Q9GZZ1	1/20	0.41

▸	KEAP1	Q14145	1/20	0.40

▸	ACE	P12821	2/20	0.40

▸	REN	P00797	1/20	0.40

▸	CALCR	P30988	3/20	0.39

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
SCHEMBL30512658	0.85	CXCL8 (0.44)	CXCL8CALCR
SCHEMBL29855215	0.82	BACE1 (0.41)	ACERENCALCR
SCHEMBL29630344	0.82	F2R (0.42)	F2RNAA50ACEREN
SCHEMBL30434139	0.82	ACE (0.54)	NMUR2F2RACEREN
SCHEMBL29511796	0.82	ACE (0.47)	CXCL8ACEREN
SCHEMBL30434949	0.81	ACE (0.55)	ACEREN
SCHEMBL30987363	0.81	NMUR2 (0.41)	NMUR2CXCL8
SCHEMBL1742627	0.81	ACE (0.46)	ACEREN
SCHEMBL1742626	0.81	ACE (0.46)	ACEREN
SCHEMBL30434874	0.80	ACE (0.54)	F2RACEREN

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-116490215-A	Targeted mediated endocytic drug delivery	CRM医疗有限公司	2023-07-25	—	—	CN	disclosed