SCHEMBL29949373

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.70

▸	KEAP1	Q14145	1/20	0.67

▸	GLP1R	P43220	9/20	0.67

▸	CRHR1	P34998	1/20	0.65

▸	CRHR2	Q13324	1/20	0.65

▸	APLNR	P35414	2/20	0.64

▸	GCGR	P47871	8/20	0.62

▸	GIPR	P48546	5/20	0.62

▸	NPY2R	P49146	1/20	0.60

▸	NPY4R	P50391	1/20	0.60

▸	NPY5R	Q15761	1/20	0.60

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
SCHEMBL30884870	0.94	CALCR (0.75)	CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL30432875	0.93	CALCR (0.65)	CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL30176470	0.92	CALCR (0.73)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL30432038	0.92	CALCR (0.72)	CALCRGLP1RCRHR1CRHR2GCGR
SCHEMBL31419713	0.92	CALCR (0.73)	CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL31182535	0.92	CALCR (0.72)	CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL30358206	0.92	CALCR (0.70)	CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL30932074	0.91	CALCR (0.72)	CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL31182767	0.91	CALCR (0.67)	CALCRKEAP1GLP1RCRHR1CRHR2
SCHEMBL30565138	0.91	CALCR (0.68)	CALCRKEAP1GLP1RCRHR1CRHR2

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