SCHEMBL30512680

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)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](CC(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	6/20	0.54

▸	NMUR2	Q9GZQ4	7/20	0.50

▸	NMUR1	Q9HB89	6/20	0.50

▸	NTSR1	P30989	1/20	0.50

▸	CALCR	P30988	3/20	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
SCHEMBL29788968	0.86	NMUR2 (0.60)	CXCL8NMUR2NMUR1NTSR1
SCHEMBL30753167	0.85	NMUR2 (0.57)	CXCL8NMUR2NMUR1
SCHEMBL30512720	0.83	APLNR (0.53)	CXCL8
SCHEMBL30753164	0.83	NMUR2 (0.56)	CXCL8NMUR2NMUR1
Reltecimod SCHEMBL29430066	0.83	CXCL8 (0.53)	CXCL8NTSR1CALCR
SCHEMBL30974363	0.82	NTSR1 (0.56)	CXCL8NTSR1CALCR
SCHEMBL30974382	0.82	NTSR1 (0.57)	CXCL8NTSR1CALCR
SCHEMBL30158741	0.82	APLNR (0.54)	CXCL8NMUR2NMUR1NTSR1
SCHEMBL38665591	0.82	SLC6A2 (0.59)	CXCL8NTSR1CALCR
SCHEMBL31433368	0.82	REN (0.52)	CXCL8NMUR2NMUR1

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