SCHEMBL30432226

CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O

nearest known ligand 0.63

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.62

▸	HIF1A	Q16665	1/20	0.62

▸	NPY2R	P49146	8/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	6/20	0.61

▸	RAMP3	O60896	10/20	0.57

▸	CALCR	P30988	10/20	0.57

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
SCHEMBL30429234	0.93	EP300 (0.62)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29949435	0.93	NPY2R (0.58)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31683337	0.91	NPY2R (0.61)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31182888	0.90	NPY2R (0.63)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29742975	0.90	MAPK8 (0.56)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30712958	0.90	NPY2R (0.60)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30607432	0.89	EP300 (0.58)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL31182614	0.89	MAPK8 (0.61)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL29357279	0.89	NPY2R (0.59)	EP300HIF1ANPY2RNPY4RNPY5R
SCHEMBL30607296	0.89	NPY2R (0.63)	EP300HIF1ANPY2RNPY4RNPY5R

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