SCHEMBL30277897

CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.60

▸	PTH1R	Q03431	6/20	0.59

▸	GLP1R	P43220	1/20	0.58

▸	GCGR	P47871	1/20	0.58

▸	GIPR	P48546	1/20	0.58

▸	IL23R	Q5VWK5	2/20	0.57

▸	KEAP1	Q14145	2/20	0.56

▸	RXFP1	Q9HBX9	1/20	0.56

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
SCHEMBL29640388	0.95	TFPI (0.65)	TFPIPTH1RGLP1RGCGRGIPR
SCHEMBL30194463	0.92	TFPI (0.66)	TFPIPTH1RGLP1RGCGRGIPR
SCHEMBL31182903	0.91	TFPI (0.65)	TFPIPTH1RGLP1RGCGRGIPR
SCHEMBL31593267	0.90	IL23R (0.59)	TFPIIL23R
SCHEMBL31678895	0.90	TFPI (0.60)	TFPIPTH1RGLP1RGCGRGIPR
SCHEMBL30350196	0.90	TFPI (0.60)	TFPIPTH1RGLP1RGCGRGIPR
SCHEMBL30842195	0.89	TFPI (0.65)	TFPIPTH1RGLP1RGCGRGIPR
SCHEMBL30262056	0.89	KEAP1 (0.62)	PTH1RGLP1RKEAP1
SCHEMBL29351238	0.89	TFPI (0.65)	TFPIGLP1RGCGRGIPRIL23R
SCHEMBL29949376	0.88	GLP1R (0.63)	TFPIPTH1RGLP1RGCGRGIPR

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-115873108-A	Anti-jujube witches broom phytoplasma monoclonal antibody and jujube witches broom phytoplasma colloidal gold detection test paper	山东省果树研究所	2023-03-31	—	—	CN	disclosed