SCHEMBL30432780

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

nearest known ligand 0.57

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	F2	P00734	4/20	0.53

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	0.53

▸	CALCR	P30988	4/20	0.51

▸	NPY2R	P49146	7/20	0.51

▸	NPY4R	P50391	7/20	0.51

▸	NPY5R	Q15761	7/20	0.51

▸	NPY1R	P25929	5/20	0.51

▸	TFPI	P10646	1/20	0.47

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
SCHEMBL30712979	0.94	CALCR (0.53)	F2EP300HIF1ACALCRNPY2R
SCHEMBL31461906	0.89	F2 (0.47)	F2EP300HIF1ACALCR
SCHEMBL31461957	0.87	CALCR (0.50)	F2EP300HIF1ACALCRNPY2R
SCHEMBL31462047	0.87	CALCR (0.49)	EP300HIF1ACALCRNPY2RNPY4R
SCHEMBL29708267	0.87	CALCR (0.53)	EP300HIF1ACALCRNPY2RNPY4R
SCHEMBL30524360	0.87	F2 (0.53)	F2EP300HIF1ACALCRNPY2R
SCHEMBL31182476	0.87	EP300 (0.53)	F2EP300HIF1ACALCRNPY2R
SCHEMBL31461965	0.87	EP300 (0.46)	F2EP300HIF1ACALCR
SCHEMBL30432915	0.87	CALCRL (0.50)	F2EP300HIF1ACALCRNPY2R
SCHEMBL29727004	0.86	AGTR2 (0.47)	F2EP300HIF1ANPY2RNPY4R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20240342111-A1	ISOMER-SPECIFIC NEUROPROTECTIVE EFFECT OF NATURAL RESERVATROL	UNIV SOUTH CAROLINA (US)	2024-10-17	—	—	US	disclosed
US-20230201133-A1	Isomer-Specific Neuroprotective Effect of Natural Resveratrol	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-29	—	—	US	disclosed