SCHEMBL30435375

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	10/20	0.65

▸	CCKBR	P32239	8/20	0.64

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
SCHEMBL30435302	0.93	CXCL8 (0.60)	CXCL8CCKBR
SCHEMBL31278597	0.92	CCKBR (0.58)	CXCL8CCKBR
SCHEMBL30339999	0.87	CXCL8 (0.60)	CXCL8CCKBR
SCHEMBL23928719	0.86	CCKBR (0.67)	CXCL8CCKBR
SCHEMBL30903290	0.86	CCKBR (0.59)	CXCL8CCKBR
SCHEMBL29349773	0.86	CCKBR (0.67)	CXCL8CCKBR
SCHEMBL29362913	0.86	CCKBR (0.67)	CXCL8CCKBR
SCHEMBL30436950	0.85	CXCL8 (0.62)	CXCL8
SCHEMBL29973367	0.85	CXCL8 (0.62)	CXCL8
SCHEMBL30933128	0.84	CXCR4 (0.56)	—

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-112826924-B	Use of an intestine-targeted gastrin-silica complex	中国医学科学院医学实验动物研究所	2023-03-21	—	—	CN	disclosed