SCHEMBL29980989

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

nearest known ligand 0.53

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	1/20	0.53

▸	KEAP1	Q14145	1/20	0.48

▸	GLP1R	P43220	5/20	0.47

▸	SCTR	P47872	1/20	0.47

▸	CALCR	P30988	3/20	0.44

▸	GCGR	P47871	1/20	0.43

▸	GIPR	P48546	1/20	0.43

▸	PTH1R	Q03431	1/20	0.42

▸	CXCR4	P61073	1/20	0.42

▸	BACE1	P56817	1/20	0.42

▸	VIPR1	P32241	1/20	0.42

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
SCHEMBL30571285	0.96	APLNR (0.50)	APLNRKEAP1GLP1RSCTRCALCR
SCHEMBL29980705	0.95	KEAP1 (0.49)	APLNRKEAP1GLP1RSCTRCALCR
SCHEMBL30571283	0.91	KEAP1 (0.47)	APLNRKEAP1GLP1RSCTRCALCR
SCHEMBL30432326	0.87	PTH1R (0.56)	GLP1RSCTRGCGRGIPRPTH1R
SCHEMBL31457348	0.87	KEAP1 (0.48)	APLNRKEAP1GLP1RSCTRCALCR
SCHEMBL30645275	0.86	GLP1R (0.44)	APLNRGLP1RSCTRCALCR
SCHEMBL31211763	0.86	KEAP1 (0.57)	APLNRKEAP1GLP1RSCTRGCGR
SCHEMBL31211842	0.86	KEAP1 (0.57)	APLNRKEAP1GLP1RSCTRGCGR
SCHEMBL31307244	0.85	GLP1R (0.51)	KEAP1GLP1RSCTRGCGRVIPR1
SCHEMBL30646296	0.85	APLNR (0.47)	APLNRKEAP1GLP1RSCTRCALCR

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-114848836-A	Conjugate and application thereof in treating inner ear diseases	中山大学孙逸仙纪念医院	2022-08-05	—	—	CN	disclosed