SCHEMBL29980705

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)O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.49

▸	APLNR	P35414	1/20	0.49

▸	GLP1R	P43220	5/20	0.46

▸	SCTR	P47872	1/20	0.46

▸	PTH1R	Q03431	2/20	0.43

▸	CRHR1	P34998	1/20	0.43

▸	CRHR2	Q13324	1/20	0.43

▸	GCGR	P47871	1/20	0.43

▸	GIPR	P48546	1/20	0.43

▸	RAMP3	O60896	3/20	0.42

▸	CALCR	P30988	3/20	0.42

▸	CTSL	P07711	1/20	0.42

▸	CTSH	P09668	1/20	0.42

▸	CTSS	P25774	1/20	0.42

▸	CTSK	P43235	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
SCHEMBL30571283	0.96	KEAP1 (0.47)	KEAP1APLNRGLP1RSCTRPTH1R
SCHEMBL29980989	0.95	APLNR (0.53)	KEAP1APLNRGLP1RSCTRPTH1R
SCHEMBL30571285	0.90	APLNR (0.50)	KEAP1APLNRGLP1RSCTRPTH1R
SCHEMBL31516403	0.89	GLP1R (0.49)	KEAP1GLP1RSCTRGCGR
SCHEMBL30645275	0.88	GLP1R (0.44)	APLNRGLP1RSCTRRAMP3CALCR
SCHEMBL30612518	0.88	APLNR (0.49)	KEAP1APLNRGLP1RSCTRPTH1R
SCHEMBL30432326	0.87	PTH1R (0.56)	GLP1RSCTRPTH1RGCGRGIPR
SCHEMBL31211842	0.86	KEAP1 (0.57)	KEAP1APLNRGLP1RSCTRPTH1R
SCHEMBL31211763	0.86	KEAP1 (0.57)	KEAP1APLNRGLP1RSCTRPTH1R
SCHEMBL31182488	0.86	GLP1R (0.48)	KEAP1APLNRGLP1RSCTRPTH1R

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 2 patents. 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	claimed
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