SCHEMBL30435977

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.89

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.69

▸	NPY2R	P49146	8/20	0.66

▸	NPY4R	P50391	8/20	0.66

▸	NPY5R	Q15761	8/20	0.66

▸	NPY1R	P25929	6/20	0.66

▸	EP300	Q09472	1/20	0.66

▸	HIF1A	Q16665	1/20	0.66

▸	TFPI	P10646	4/20	0.65

▸	CRHR1	P34998	1/20	0.64

▸	CRHR2	Q13324	1/20	0.64

▸	KEAP1	Q14145	1/20	0.63

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
SCHEMBL30658405	0.95	CALCR (0.69)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495808	0.94	NPY2R (0.65)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31402802	0.93	NPY2R (0.63)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578729	0.93	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578734	0.93	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30578733	0.93	CALCR (0.73)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31105560	0.93	NPY2R (0.72)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30843963	0.92	CALCR (0.71)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495633	0.92	CALCR (0.62)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31656508	0.92	CALCR (0.78)	CALCRNPY2RNPY4RNPY5RNPY1R

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