SCHEMBL30358141

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.63

▸	C5AR1	P21730	1/20	0.59

▸	CALCR	P30988	4/20	0.58

▸	F2	P00734	4/20	0.57

▸	KDM1A	O60341	2/20	0.56

▸	MAPK8	P45983	1/20	0.56

▸	MAPK9	P45984	1/20	0.56

▸	MAPK10	P53779	1/20	0.56

▸	MAOB	P27338	1/20	0.56

▸	KDM5A	P29375	1/20	0.56

▸	KDM1B	Q8NB78	1/20	0.56

▸	NMUR2	Q9GZQ4	2/20	0.56

▸	NMUR1	Q9HB89	2/20	0.56

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
SCHEMBL30712933	0.94	C5AR1 (0.62)	APLNRC5AR1CALCRKDM1AMAOB
SCHEMBL30432183	0.91	F2 (0.59)	APLNRCALCRF2KDM1A
SCHEMBL31182755	0.91	CALCR (0.60)	APLNRCALCRF2MAPK8MAPK9
SCHEMBL29721233	0.91	APLNR (0.57)	APLNRCALCRF2KDM1AMAOB
SCHEMBL29949425	0.90	CALCR (0.67)	CALCR
SCHEMBL31174210	0.90	MC4R (0.60)	APLNRC5AR1CALCRF2MAPK8
SCHEMBL29697039	0.90	EPHA2 (0.58)	APLNRC5AR1CALCRF2MAPK8
SCHEMBL29695646	0.89	NPY2R (0.63)	C5AR1CALCRF2
SCHEMBL29637944	0.89	C5AR1 (0.65)	C5AR1CALCRF2KDM1AMAOB
SCHEMBL31182516	0.89	NPY2R (0.64)	CALCRKDM1A

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