SCHEMBL30209778

CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	11/20	0.56

▸	BACE2	Q9Y5Z0	2/20	0.54

▸	CTSD	P07339	2/20	0.54

▸	GLP1R	P43220	2/20	0.53

▸	SCTR	P47872	1/20	0.53

▸	F2	P00734	4/20	0.53

▸	TFPI	P10646	1/20	0.52

▸	CALCR	P30988	2/20	0.52

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
SCHEMBL30209777	0.94	GLP1R (0.50)	BACE1GLP1RSCTRF2TFPI
SCHEMBL29992932	0.93	F2 (0.55)	GLP1RSCTRF2TFPICALCR
SCHEMBL30974396	0.93	TFPI (0.60)	GLP1RSCTRTFPI
SCHEMBL29654742	0.91	BACE1 (0.59)	BACE1BACE2CTSD
SCHEMBL30512790	0.91	GLP1R (0.49)	BACE1BACE2CTSDGLP1RSCTR
SCHEMBL29922493	0.91	GLP1R (0.57)	GLP1RSCTRF2CALCR
SCHEMBL30262038	0.91	F2 (0.62)	GLP1RF2CALCR
SCHEMBL30277905	0.90	CALCR (0.55)	BACE1GLP1RSCTRTFPICALCR
SCHEMBL30974518	0.90	TFPI (0.62)	GLP1RSCTRTFPI
SCHEMBL30168773	0.89	GLP1R (0.58)	GLP1RSCTRTFPI

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-115838436-A	Anti-tumor polypeptide B5-X of targeting ITG beta 5-14-3-3 zeta compound and preparation method and application thereof	中国医科大学附属第一医院	2023-03-24	—	—	CN	disclosed