SCHEMBL30436426

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	13/20	0.66

▸	KEAP1	Q14145	1/20	0.63

▸	GCGR	P47871	8/20	0.63

▸	GIPR	P48546	5/20	0.63

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	PTH1R	Q03431	2/20	0.61

▸	CALCR	P30988	1/20	0.60

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
SCHEMBL29811075	0.91	NPY1R (0.61)	GLP1RKEAP1GCGRGIPRNPY1R
SCHEMBL31182539	0.91	NPY1R (0.68)	GLP1RKEAP1GCGRGIPRNPY1R
SCHEMBL31182484	0.90	KEAP1 (0.72)	GLP1RKEAP1GCGRGIPRPTH1R
SCHEMBL30658306	0.90	KEAP1 (0.72)	GLP1RKEAP1GCGRGIPRNPY1R
SCHEMBL31182713	0.90	CALCR (0.65)	GLP1RKEAP1GCGRGIPRCALCR
SCHEMBL30903284	0.89	MAPK8 (0.60)	GLP1RKEAP1GCGRGIPRNPY1R
SCHEMBL29771728	0.89	GLP1R (0.71)	GLP1RKEAP1GCGRGIPRPTH1R
SCHEMBL29508830	0.89	GLP1R (0.74)	GLP1RKEAP1GCGRGIPRNPY1R
SCHEMBL30495687	0.89	NPY1R (0.68)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30658282	0.89	KEAP1 (0.73)	GLP1RKEAP1GCGRGIPRNPY1R

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
US-20230167470-A1	METHOD AND STRAINS FOR REDUCING BYPRODUCT SUCCINIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF	Nanjing Haohe Biotechnology Co., Ltd. (CN)	2023-06-01	—	—	US	disclosed