SCHEMBL30420836

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NAA50	Q9GZZ1	1/20	0.50

▸	RAMP3	O60896	14/20	0.48

▸	CALCR	P30988	14/20	0.48

▸	KEAP1	Q14145	1/20	0.46

▸	OPRM1	P35372	1/20	0.45

▸	OPRD1	P41143	1/20	0.45

▸	GRB2	P62993	1/20	0.45

▸	NTSR1	P30989	1/20	0.44

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
SCHEMBL30420364	0.94	NAA50 (0.49)	NAA50RAMP3CALCRKEAP1OPRM1
SCHEMBL30419465	0.94	NAA50 (0.53)	NAA50RAMP3CALCRGRB2
SCHEMBL30420753	0.92	GRB2 (0.47)	NAA50RAMP3CALCRKEAP1GRB2
SCHEMBL30420523	0.89	OPRM1 (0.55)	RAMP3CALCROPRM1OPRD1NTSR1
SCHEMBL30853585	0.87	NAA50 (0.48)	NAA50RAMP3CALCROPRM1OPRD1
SCHEMBL31232442	0.86	GRB2 (0.51)	NAA50GRB2NTSR1
SCHEMBL30420502	0.86	GRB2 (0.49)	NAA50GRB2NTSR1
SCHEMBL29569659	0.86	CAPN1 (0.51)	NAA50RAMP3CALCRGRB2NTSR1
SCHEMBL30419987	0.86	GRB2 (0.47)	NAA50CALCRKEAP1GRB2NTSR1
SCHEMBL30099425	0.85	KEAP1 (0.51)	RAMP3CALCRKEAP1OPRM1OPRD1

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-116350760-A	Application of CTL epitope peptide derived from new antigen ESR1 or encoding nucleic acid thereof in preparation of medicines	郑州大学	2023-06-30	—	—	CN	disclosed