SCHEMBL30524357

CSCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	APLNR	P35414	2/20	0.67

▸	GLP1R	P43220	8/20	0.61

▸	CALCR	P30988	3/20	0.60

▸	KEAP1	Q14145	1/20	0.60

▸	GCGR	P47871	7/20	0.60

▸	CTSL	P07711	3/20	0.60

▸	CTSS	P25774	3/20	0.60

▸	CTSK	P43235	3/20	0.60

▸	CTSH	P09668	1/20	0.60

▸	C5AR1	P21730	1/20	0.59

▸	GIPR	P48546	4/20	0.58

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
SCHEMBL30276691	0.91	CALCR (0.68)	APLNRGLP1RCALCRKEAP1GCGR
SCHEMBL30446021	0.91	CALCR (0.68)	APLNRGLP1RCALCRKEAP1GCGR
SCHEMBL29742982	0.91	CALCR (0.65)	APLNRGLP1RCALCRKEAP1GCGR
SCHEMBL30437391	0.91	APLNR (0.67)	APLNRGLP1RCALCRKEAP1GCGR
SCHEMBL29963415	0.90	CALCR (0.67)	APLNRGLP1RCALCRKEAP1GCGR
SCHEMBL29446772	0.90	CALCR (0.67)	APLNRGLP1RCALCRKEAP1GCGR
SCHEMBL30358206	0.89	CALCR (0.70)	APLNRGLP1RCALCRKEAP1GCGR
SCHEMBL30185050	0.89	APLNR (0.62)	APLNRGLP1RCALCRKEAP1GCGR
SCHEMBL31688333	0.89	APLNR (0.65)	APLNRGLP1RCALCRGCGRC5AR1
SCHEMBL30565138	0.89	CALCR (0.68)	APLNRGLP1RCALCRKEAP1GCGR

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-109652423-B	Rice flowering phase regulating protein and application thereof in breeding	沈阳农业大学	2023-08-11	—	—	CN	disclosed