SCHEMBL30824283

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.71

▸	MAPK8	P45983	1/20	0.68

▸	MAPK9	P45984	1/20	0.68

▸	MAPK10	P53779	1/20	0.68

▸	PTH1R	Q03431	2/20	0.60

▸	VIPR2	P41587	10/20	0.58

▸	VIPR1	P32241	9/20	0.58

▸	GLP1R	P43220	3/20	0.57

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
SCHEMBL29679527	0.93	MAPK8 (0.66)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30906548	0.92	KEAP1 (0.72)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30906522	0.91	MAPK8 (0.67)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30906440	0.91	KEAP1 (0.68)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30906363	0.90	KEAP1 (0.65)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30436616	0.89	MAPK8 (0.69)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30712941	0.89	MAPK8 (0.73)	KEAP1MAPK8MAPK9MAPK10
SCHEMBL30906421	0.89	KEAP1 (0.68)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL30726561	0.89	KEAP1 (0.68)	KEAP1MAPK8MAPK9MAPK10PTH1R
SCHEMBL31401835	0.89	KEAP1 (0.65)	KEAP1MAPK8MAPK9MAPK10PTH1R

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-11925667-B2	Engineered therapeutic probiotic system and method	CHANG MATTHEW WOOK (SG)	2024-03-12	—	—	US	disclosed