SCHEMBL30432915

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

nearest known ligand 0.54

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	3/20	0.50

▸	CALCR	P30988	4/20	0.49

▸	EP300	Q09472	1/20	0.49

▸	HIF1A	Q16665	1/20	0.49

▸	F2	P00734	3/20	0.47

▸	NPY2R	P49146	6/20	0.47

▸	NPY4R	P50391	6/20	0.47

▸	NPY5R	Q15761	6/20	0.47

▸	NPY1R	P25929	4/20	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
SCHEMBL30175379	0.88	F2 (0.47)	CALCREP300HIF1AF2
SCHEMBL30420933	0.88	CAPN1 (0.48)	CALCRLCALCRF2
SCHEMBL31182476	0.87	EP300 (0.53)	CALCREP300HIF1AF2NPY2R
SCHEMBL30432780	0.87	F2 (0.53)	CALCREP300HIF1AF2NPY2R
SCHEMBL29949435	0.86	NPY2R (0.58)	CALCREP300HIF1ANPY2RNPY4R
SCHEMBL30420755	0.86	CALCRL (0.47)	CALCRL
SCHEMBL30712979	0.86	CALCR (0.53)	CALCREP300HIF1AF2NPY2R
SCHEMBL30524360	0.85	F2 (0.53)	CALCREP300HIF1AF2NPY2R
SCHEMBL30085018	0.85	NTSR1 (0.47)	F2
SCHEMBL31182928	0.85	CAPN1 (0.51)	CALCRLCALCREP300HIF1AF2

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