SCHEMBL29949376

CSCC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CN)C(C)C)C(C)C)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	3/20	0.63

▸	GCGR	P47871	1/20	0.63

▸	GIPR	P48546	1/20	0.63

▸	TFPI	P10646	1/20	0.63

▸	RXFP1	Q9HBX9	2/20	0.58

▸	CCKBR	P32239	1/20	0.57

▸	PTH1R	Q03431	3/20	0.57

▸	VIPR1	P32241	2/20	0.56

▸	IL23R	Q5VWK5	1/20	0.56

▸	ECE1	P42892	1/20	0.56

▸	MUS81	Q96NY9	1/20	0.56

▸	VIPR2	P41587	1/20	0.55

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
SCHEMBL31678895	0.94	TFPI (0.60)	GLP1RGCGRGIPRTFPIRXFP1
SCHEMBL29563482	0.94	GLP1R (0.66)	GLP1RGCGRGIPRTFPIRXFP1
SCHEMBL29640388	0.92	TFPI (0.65)	GLP1RGCGRGIPRTFPIRXFP1
SCHEMBL30887556	0.91	TFPI (0.65)	GLP1RGCGRGIPRTFPIRXFP1
SCHEMBL31182903	0.91	TFPI (0.65)	GLP1RGCGRGIPRTFPIRXFP1
SCHEMBL31517010	0.90	GLP1R (0.64)	GLP1RGCGRGIPRTFPIRXFP1
SCHEMBL29523535	0.89	VIPR1 (0.69)	GLP1RGCGRGIPRTFPICCKBR
SCHEMBL31179921	0.89	TFPI (0.67)	GLP1RTFPIPTH1RVIPR1VIPR2
SCHEMBL29357155	0.89	GLP1R (0.64)	GLP1RGCGRGIPRTFPIRXFP1
SCHEMBL30906463	0.89	TFPI (0.59)	GLP1RGCGRGIPRTFPIRXFP1

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-113308448-B	Rice leaf color regulation gene WSS1 and encoding protein and application thereof	中国农业科学院作物科学研究所	2022-11-18	—	—	CN	disclosed