SCHEMBL30432958

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	CRHR1	P34998	1/20	0.63

▸	CRHR2	Q13324	1/20	0.63

▸	F2	P00734	4/20	0.63

▸	NPY2R	P49146	7/20	0.58

▸	NPY4R	P50391	7/20	0.58

▸	NPY5R	Q15761	7/20	0.58

▸	NPY1R	P25929	5/20	0.58

▸	EP300	Q09472	1/20	0.57

▸	HIF1A	Q16665	1/20	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
SCHEMBL31332191	0.90	F2 (0.58)	CALCRCRHR1CRHR2F2
SCHEMBL30495807	0.90	NPY2R (0.62)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182540	0.89	CALCR (0.68)	CALCRCRHR1CRHR2F2NPY2R
SCHEMBL30495645	0.89	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29797076	0.89	CALCR (0.64)	CALCRCRHR1CRHR2F2NPY2R
SCHEMBL29558891	0.89	CALCR (0.68)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL38663746	0.89	CALCR (0.65)	CALCRCRHR1CRHR2F2NPY2R
SCHEMBL11660011	0.89	CALCR (0.72)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL31182792	0.88	CALCR (0.76)	CALCRCRHR1CRHR2F2NPY2R
SCHEMBL11660133	0.88	CALCR (0.73)	CALCRCRHR1CRHR2NPY2RNPY4R

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