SCHEMBL30495783

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.50

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.48

▸	HIF1A	Q16665	1/20	0.48

▸	CTSD	P07339	2/20	0.48

▸	BACE1	P56817	2/20	0.48

▸	RAMP3	O60896	6/20	0.48

▸	CALCR	P30988	6/20	0.48

▸	CALCRL	Q16602	2/20	0.47

▸	KEAP1	Q14145	2/20	0.47

▸	NPY2R	P49146	6/20	0.46

▸	NPY4R	P50391	6/20	0.46

▸	NPY5R	Q15761	6/20	0.46

▸	NPY1R	P25929	4/20	0.46

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
SCHEMBL31182552	0.91	BACE1 (0.47)	EP300HIF1ACTSDBACE1RAMP3
SCHEMBL30973993	0.91	BACE1 (0.47)	EP300HIF1ACTSDBACE1RAMP3
SCHEMBL31419688	0.89	RAMP3 (0.51)	EP300HIF1ARAMP3CALCRCALCRL
SCHEMBL30974126	0.87	RAMP3 (0.56)	EP300HIF1ARAMP3CALCRNPY2R
SCHEMBL30150591	0.87	BACE1 (0.51)	EP300HIF1ACTSDBACE1CALCRL
SCHEMBL30495673	0.87	BACE1 (0.49)	CTSDBACE1CALCRLNPY2RNPY4R
SCHEMBL31281428	0.86	OPRM1 (0.60)	BACE1CALCRLKEAP1
SCHEMBL30150556	0.86	BACE1 (0.49)	CTSDBACE1CALCRL
SCHEMBL31031572	0.86	RAMP3 (0.59)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30457049	0.86	OPRM1 (0.49)	NPY2RNPY4RNPY5RNPY1R

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
US-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed