SCHEMBL30436950

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

nearest known ligand 0.62

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CXCL8	P10145	6/20	0.62

▸	CXCR4	P61073	8/20	0.62

▸	KEAP1	Q14145	1/20	0.60

▸	CTSL	P07711	2/20	0.57

▸	CTSS	P25774	2/20	0.57

▸	CTSK	P43235	2/20	0.57

▸	CTSH	P09668	1/20	0.57

▸	NMBR	P28336	1/20	0.57

▸	GRPR	P30550	1/20	0.57

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
SCHEMBL31182901	0.89	CXCR4 (0.62)	CXCL8CXCR4
SCHEMBL30646334	0.87	CXCR4 (0.63)	CXCL8CXCR4
SCHEMBL30437444	0.86	CXCR4 (0.65)	CXCL8CXCR4KEAP1CTSLCTSS
SCHEMBL30567770	0.85	CALCR (0.60)	CXCL8
SCHEMBL30435375	0.85	CXCL8 (0.65)	CXCL8
SCHEMBL5710842	0.85	CXCR4 (0.60)	CXCR4KEAP1
SCHEMBL30893565	0.85	CXCR4 (0.63)	CXCL8CXCR4
SCHEMBL31000406	0.84	CXCR4 (0.70)	CXCL8CXCR4KEAP1
SCHEMBL30658310	0.84	CALCR (0.63)	CXCR4
SCHEMBL31182513	0.84	CXCL8 (0.62)	CXCL8CXCR4

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-116103323-B	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2024-10-22	—	—	CN	disclosed
CN-116103323-A	Polygonum multiflorum phenylalanine ammonia lyase gene FmPAL, and encoding product and application thereof	安徽中医药大学	2023-05-12	—	—	CN	disclosed