SCHEMBL30433551

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

nearest known ligand 0.63

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	0.57

▸	RAMP3	O60896	9/20	0.56

▸	CALCR	P30988	9/20	0.56

▸	NPY2R	P49146	7/20	0.55

▸	NPY4R	P50391	7/20	0.55

▸	NPY5R	Q15761	7/20	0.55

▸	NPY1R	P25929	5/20	0.55

▸	KEAP1	Q14145	1/20	0.54

▸	CXCR4	P61073	1/20	0.53

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
SCHEMBL31683337	0.91	NPY2R (0.61)	EP300HIF1ARAMP3CALCRNPY2R
SCHEMBL30429252	0.90	NPY2R (0.64)	EP300HIF1ARAMP3CALCRNPY2R
SCHEMBL29479782	0.90	EP300 (0.60)	EP300HIF1ARAMP3CALCRNPY2R
SCHEMBL30536336	0.90	RAMP3 (0.61)	EP300HIF1ARAMP3CALCRNPY2R
SCHEMBL29827221	0.90	NPY2R (0.59)	EP300HIF1ARAMP3CALCRNPY2R
SCHEMBL30607453	0.90	NPY2R (0.62)	EP300HIF1ARAMP3CALCRNPY2R
SCHEMBL30495607	0.90	NPY2R (0.64)	EP300HIF1ARAMP3CALCRNPY2R
SCHEMBL30648446	0.89	NPY2R (0.58)	EP300HIF1ARAMP3CALCRNPY2R
SCHEMBL30567708	0.89	NPY2R (0.61)	RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30524360	0.89	F2 (0.53)	EP300HIF1ARAMP3CALCRNPY2R

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