SCHEMBL29678901

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](Cc1ccc(O)cc1)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 0.57

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	KEAP1	Q14145	1/20	0.55

▸	BECN1	Q14457	4/20	0.52

▸	IL23R	Q5VWK5	4/20	0.51

▸	GLP1R	P43220	3/20	0.49

▸	NPY1R	P25929	2/20	0.49

▸	NPY2R	P49146	2/20	0.49

▸	NPY4R	P50391	2/20	0.49

▸	NPY5R	Q15761	2/20	0.49

▸	VIPR1	P32241	1/20	0.49

▸	VIPR2	P41587	1/20	0.49

▸	KDM1A	O60341	1/20	0.49

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
SCHEMBL29679016	1.00	MAPK8 (0.57)	MAPK8MAPK9MAPK10KEAP1BECN1
SCHEMBL29679260	0.94	MAPK8 (0.63)	MAPK8MAPK9MAPK10KEAP1NPY1R
SCHEMBL29678825	0.94	MAPK8 (0.63)	MAPK8MAPK9MAPK10KEAP1NPY1R
SCHEMBL29678988	0.89	IL23R (0.56)	MAPK8MAPK9MAPK10KEAP1IL23R
SCHEMBL29679246	0.89	IL23R (0.56)	MAPK8MAPK9MAPK10KEAP1IL23R
SCHEMBL31182650	0.88	CALCR (0.61)	MAPK8MAPK9MAPK10GLP1RNPY1R
SCHEMBL31182948	0.88	MAPK8 (0.63)	MAPK8MAPK9MAPK10KEAP1GLP1R
SCHEMBL30449988	0.87	MAPK8 (0.59)	MAPK8MAPK9MAPK10KEAP1BECN1
SCHEMBL29836311	0.87	KEAP1 (0.55)	MAPK8MAPK9MAPK10KEAP1BECN1
SCHEMBL29836352	0.86	MAPK8 (0.56)	MAPK8MAPK9MAPK10KEAP1BECN1

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