SCHEMBL30358145

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

nearest known ligand 0.75

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.68

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	KEAP1	Q14145	1/20	0.63

▸	GLP1R	P43220	4/20	0.62

▸	APLNR	P35414	2/20	0.60

▸	TFPI	P10646	3/20	0.60

▸	NPY2R	P49146	3/20	0.59

▸	NPY4R	P50391	3/20	0.59

▸	NPY5R	Q15761	3/20	0.59

▸	NPY1R	P25929	2/20	0.59

▸	GCGR	P47871	3/20	0.59

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
SCHEMBL30358206	0.94	CALCR (0.70)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL31182551	0.93	CALCR (0.68)	CALCRCRHR1CRHR2GLP1RAPLNR
SCHEMBL31182700	0.93	CALCR (0.68)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30932066	0.92	CALCR (0.77)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30884870	0.92	CALCR (0.75)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL29949425	0.91	CALCR (0.67)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30658339	0.91	CALCR (0.73)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL30495712	0.91	CALCR (0.72)	CALCRCRHR1CRHR2KEAP1GLP1R
SCHEMBL31182813	0.91	CALCR (0.70)	CALCRCRHR1CRHR2GLP1RTFPI
SCHEMBL31182500	0.91	CALCR (0.72)	CALCRCRHR1CRHR2GLP1RAPLNR

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11732279-B2	Method AMD strains for reducing byproduct fumaric acid in fermentation process of L-malic acid and use thereof	Nanjing Haohe Biotechnology Co., Ltd. (CN)	2023-08-22	—	—	US	disclosed
US-20230167471-A1	METHOD AMD STRAINS FOR REDUCING BYPRODUCT FUMARIC ACID IN FERMENTATION PROCESS OF L-MALIC ACID AND USE THEREOF	Nanjing Haohe Biotechnology Co., Ltd. (CN)	2023-06-01	—	—	US	disclosed