SCHEMBL30862334

CSCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.58

▸	GLP1R	P43220	13/20	0.54

▸	SCTR	P47872	1/20	0.54

▸	RXFP1	Q9HBX9	1/20	0.50

▸	PTH1R	Q03431	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
SCHEMBL31211763	0.94	KEAP1 (0.57)	KEAP1GLP1RSCTRRXFP1PTH1R
SCHEMBL31211842	0.94	KEAP1 (0.57)	KEAP1GLP1RSCTRRXFP1PTH1R
SCHEMBL29469826	0.92	KEAP1 (0.54)	KEAP1GLP1RSCTRRXFP1PTH1R
SCHEMBL31182854	0.89	KEAP1 (0.57)	KEAP1GLP1RSCTR
SCHEMBL31182582	0.88	PTH1R (0.61)	KEAP1GLP1RSCTRPTH1R
SCHEMBL30883268	0.87	CALCR (0.51)	KEAP1GLP1RSCTRRXFP1PTH1R
SCHEMBL31182576	0.87	PTH1R (0.58)	GLP1RSCTRRXFP1PTH1R
SCHEMBL31182649	0.87	GLP1R (0.61)	KEAP1GLP1RSCTRPTH1R
SCHEMBL30432625	0.87	PTH1R (0.59)	KEAP1GLP1RSCTRRXFP1PTH1R
SCHEMBL30436184	0.86	GLP1R (0.62)	GLP1RSCTRPTH1R

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-20240124552-A1	METHODS AND COMPOSITIONS FOR GENERATING AN IMMUNE RESPONSE BY INDUCING CD40 AND PATTERN RECOGNITION RECEPTOR ADAPTERS	BAYLOR COLLEGE OF MEDICINE	2024-04-18	—	—	US	disclosed