SCHEMBL31388213

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.57

▸	SLC6A2	P23975	1/20	0.55

▸	CALCR	P30988	4/20	0.54

▸	OPRD1	P41143	2/20	0.54

▸	NTSR1	P30989	2/20	0.53

▸	NTSR2	O95665	1/20	0.53

▸	AGTR2	P50052	3/20	0.52

▸	AGTR1	P30556	2/20	0.52

▸	OPRM1	P35372	1/20	0.52

▸	MAPK8	P45983	1/20	0.52

▸	MAPK9	P45984	1/20	0.52

▸	MAPK10	P53779	1/20	0.52

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
SCHEMBL31388215	0.99	KEAP1 (0.59)	KEAP1SLC6A2CALCROPRD1NTSR1
SCHEMBL31388204	0.95	KEAP1 (0.58)	KEAP1SLC6A2CALCROPRD1OPRM1
SCHEMBL31388233	0.93	KEAP1 (0.60)	KEAP1SLC6A2CALCROPRD1OPRM1
SCHEMBL31182731	0.87	CALCR (0.65)	KEAP1CALCROPRD1OPRM1MAPK8
SCHEMBL31000906	0.86	CALCR (0.59)	KEAP1CALCROPRD1MAPK8MAPK9
SCHEMBL30429242	0.86	CALCR (0.63)	CALCR
SCHEMBL29649200	0.85	CALCR (0.60)	CALCROPRD1AGTR2AGTR1OPRM1
SCHEMBL30504298	0.85	CALCR (0.60)	SLC6A2CALCROPRD1OPRM1
SCHEMBL30887979	0.85	CALCR (0.65)	KEAP1CALCROPRD1OPRM1MAPK8
SCHEMBL30433441	0.85	CALCR (0.65)	CALCROPRD1

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
CN-119161447-A	Long-acting insulin analogue, and preparation method and application thereof	濮阳市旌胜新能源科技有限公司	2024-12-20	—	—	CN	disclosed