SCHEMBL30436616

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)[C@@H](C)CC)C(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.69

▸	MAPK9	P45984	1/20	0.69

▸	MAPK10	P53779	1/20	0.69

▸	KEAP1	Q14145	1/20	0.67

▸	NPY2R	P49146	7/20	0.56

▸	NPY4R	P50391	7/20	0.56

▸	NPY5R	Q15761	7/20	0.56

▸	NPY1R	P25929	5/20	0.56

▸	KDM1A	O60341	2/20	0.56

▸	PTH1R	Q03431	2/20	0.55

▸	EP300	Q09472	1/20	0.54

▸	HIF1A	Q16665	1/20	0.54

▸	CALCA	P06881	1/20	0.54

▸	TFPI	P10646	1/20	0.53

▸	CALCRL	Q16602	1/20	0.53

▸	GLP1R	P43220	1/20	0.53

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
SCHEMBL30712941	0.91	MAPK8 (0.73)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30432934	0.90	MAPK8 (0.72)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30824283	0.89	KEAP1 (0.71)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL30495769	0.87	MAPK8 (0.69)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL29679520	0.87	MAPK8 (0.65)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL29883512	0.87	MAPK8 (0.68)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL29679527	0.86	MAPK8 (0.66)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL29679821	0.86	MAPK8 (0.63)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30906548	0.86	KEAP1 (0.72)	MAPK8MAPK9MAPK10KEAP1KDM1A
SCHEMBL31461956	0.86	NPY2R (0.57)	MAPK8MAPK9MAPK10KEAP1NPY2R

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