SCHEMBL31295732

CC[C@H](C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)CC)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)CC

nearest known ligand 0.60

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.60

▸	MAPK9	P45984	1/20	0.60

▸	MAPK10	P53779	1/20	0.60

▸	C5AR1	P21730	1/20	0.59

▸	F2	P00734	4/20	0.57

▸	APLNR	P35414	1/20	0.56

▸	CALCR	P30988	5/20	0.56

▸	KEAP1	Q14145	2/20	0.55

▸	REN	P00797	3/20	0.54

▸	GLP1R	P43220	1/20	0.53

▸	GCGR	P47871	1/20	0.53

▸	GIPR	P48546	1/20	0.53

▸	RAMP1	O60894	1/20	0.53

▸	RAMP2	O60895	1/20	0.53

▸	RAMP3	O60896	1/20	0.53

▸	CALCRL	Q16602	1/20	0.53

▸	CTSL	P07711	1/20	0.53

▸	CTSS	P25774	1/20	0.53

▸	CTSK	P43235	1/20	0.53

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
SCHEMBL30607332	0.93	MAPK8 (0.64)	MAPK8MAPK9MAPK10C5AR1F2
SCHEMBL29771868	0.88	CALCR (0.68)	F2APLNRCALCRGLP1RGCGR
SCHEMBL29771869	0.88	CALCR (0.68)	F2APLNRCALCRGLP1RGCGR
SCHEMBL29771870	0.88	CALCR (0.68)	F2APLNRCALCRGLP1RGCGR
SCHEMBL31182874	0.88	MAPK8 (0.66)	MAPK8MAPK9MAPK10F2APLNR
SCHEMBL30974521	0.88	MAPK8 (0.64)	MAPK8MAPK9MAPK10CALCRKEAP1
SCHEMBL30930534	0.87	F2 (0.60)	C5AR1F2APLNRCALCRKEAP1
SCHEMBL30974458	0.87	C5AR1 (0.59)	C5AR1F2APLNRCALCRKEAP1
SCHEMBL30974459	0.87	C5AR1 (0.60)	C5AR1F2APLNRCALCRKEAP1
SCHEMBL30974387	0.87	C5AR1 (0.59)	C5AR1F2APLNRCALCRKEAP1

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-119120488-A	Corn internode length regulation gene ZmIL, expression product, excellent haplotype and application thereof in corn breeding	河南农业大学	2024-12-13	—	—	CN	disclosed