SCHEMBL29679246

CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	6/20	0.56

▸	CXCR4	P61073	1/20	0.55

▸	GLP1R	P43220	7/20	0.54

▸	RXFP1	Q9HBX9	1/20	0.54

▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	ECE1	P42892	1/20	0.52

▸	MUS81	Q96NY9	1/20	0.52

▸	PTH1R	Q03431	3/20	0.51

▸	KEAP1	Q14145	1/20	0.51

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
SCHEMBL29678988	1.00	IL23R (0.56)	IL23RCXCR4GLP1RRXFP1MAPK8
SCHEMBL29678654	0.94	CXCR4 (0.60)	IL23RCXCR4MAPK8MAPK9MAPK10
SCHEMBL29679068	0.94	CXCR4 (0.60)	IL23RCXCR4MAPK8MAPK9MAPK10
SCHEMBL30445030	0.89	RXFP1 (0.58)	CXCR4GLP1RRXFP1MAPK8MAPK9
SCHEMBL29649219	0.89	GLP1R (0.63)	GLP1RRXFP1ECE1MUS81PTH1R
SCHEMBL29678901	0.89	MAPK8 (0.57)	IL23RGLP1RMAPK8MAPK9MAPK10
SCHEMBL29679016	0.89	MAPK8 (0.57)	IL23RGLP1RMAPK8MAPK9MAPK10
SCHEMBL29675015	0.87	IL23R (0.52)	IL23RCXCR4
SCHEMBL29674951	0.87	IL23R (0.52)	IL23RCXCR4
SCHEMBL29678825	0.83	MAPK8 (0.63)	MAPK8MAPK9MAPK10KEAP1

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-110372800-B	Fusion polypeptide with multifunctional activity and application thereof	南京安吉生物科技有限公司	2022-06-07	—	—	CN	claimed