SCHEMBL30423068

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	18/20	0.59

▸	EDNRA	P25101	1/20	0.54

▸	KEAP1	Q14145	1/20	0.54

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
SCHEMBL29972957	0.92	GLP1R (0.62)	GLP1R
SCHEMBL29973096	0.92	GLP1R (0.60)	GLP1REDNRA
SCHEMBL29973282	0.91	EDNRA (0.56)	GLP1REDNRA
SCHEMBL7261791	0.90	EDNRA (0.65)	GLP1REDNRA
SCHEMBL7261793	0.90	EDNRA (0.65)	GLP1REDNRA
SCHEMBL30176481	0.89	GLP1R (0.59)	GLP1R
Sovatelitide SCHEMBL29405690	0.88	GLP1R (0.61)	GLP1R
SCHEMBL29973297	0.88	GLP1R (0.62)	GLP1R
SCHEMBL31331962	0.87	GLP1R (0.57)	GLP1RKEAP1
SCHEMBL31529691	0.86	BACE1 (0.63)	—

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 3 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-110199029-B	Method for preparing rebaudioside C by enzyme method	百事可乐公司	2023-09-05	—	—	CN	disclosed
CN-110177881-B	Method for preparing rebaudioside J by enzyme method	百事可乐公司	2023-06-02	—	—	CN	disclosed
CN-109890973-B	Method for preparing rebaudioside N by enzyme method	百事可乐公司	2023-05-23	—	—	CN	disclosed