SCHEMBL30495733

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(N)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.74

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.66

▸	HIF1A	Q16665	1/20	0.66

▸	CALCR	P30988	4/20	0.63

▸	CRHR1	P34998	1/20	0.62

▸	CRHR2	Q13324	1/20	0.62

▸	F2	P00734	4/20	0.62

▸	NPY2R	P49146	8/20	0.59

▸	NPY4R	P50391	8/20	0.59

▸	NPY5R	Q15761	8/20	0.59

▸	NPY1R	P25929	6/20	0.59

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
SCHEMBL31000946	0.91	CALCR (0.64)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL30648485	0.91	CALCR (0.66)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL30804654	0.90	EP300 (0.60)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL29867615	0.90	CALCR (0.62)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL31182741	0.90	CALCR (0.62)	EP300HIF1ACALCRF2NPY2R
SCHEMBL31182478	0.90	NPY1R (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30277935	0.90	CALCR (0.61)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL29797076	0.89	CALCR (0.64)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL30607403	0.89	CALCR (0.67)	EP300HIF1ACALCRCRHR1CRHR2
SCHEMBL30607280	0.89	CALCR (0.59)	EP300HIF1ACALCRCRHR1CRHR2

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