SCHEMBL30434997

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCSC)C(C)C)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.65

▸	CRHR1	P34998	1/20	0.56

▸	CRHR2	Q13324	1/20	0.56

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	KEAP1	Q14145	2/20	0.54

▸	F2	P00734	4/20	0.54

▸	NPY1R	P25929	1/20	0.53

▸	NPY2R	P49146	1/20	0.53

▸	NPY4R	P50391	1/20	0.53

▸	NPY5R	Q15761	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
SCHEMBL31182937	0.89	CALCR (0.65)	CALCRCRHR1CRHR2MAPK8MAPK9
SCHEMBL30862326	0.89	CALCR (0.70)	CALCRCRHR1CRHR2MAPK8MAPK9
SCHEMBL30658358	0.88	CALCR (0.77)	CALCRCRHR1CRHR2NPY1RNPY2R
SCHEMBL30607345	0.87	CALCR (0.66)	CALCRCRHR1CRHR2NPY1RNPY2R
SCHEMBL31656508	0.87	CALCR (0.78)	CALCRCRHR1CRHR2NPY1RNPY2R
SCHEMBL31182524	0.87	CALCR (0.61)	CALCRCRHR1CRHR2KEAP1NPY1R
SCHEMBL30930551	0.87	CALCR (0.55)	CALCRKEAP1
SCHEMBL31182540	0.87	CALCR (0.68)	CALCRCRHR1CRHR2F2NPY1R
SCHEMBL29558891	0.87	CALCR (0.68)	CALCRCRHR1CRHR2KEAP1NPY1R
SCHEMBL30887555	0.87	CALCR (0.66)	CALCRMAPK8MAPK9MAPK10KEAP1

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