SCHEMBL30432050

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.68

▸	C5AR1	P21730	1/20	0.66

▸	GLP1R	P43220	11/20	0.64

▸	F2	P00734	4/20	0.62

▸	GCGR	P47871	6/20	0.62

▸	GIPR	P48546	6/20	0.62

▸	NPY1R	P25929	1/20	0.62

▸	NPY2R	P49146	1/20	0.62

▸	NPY4R	P50391	1/20	0.62

▸	NPY5R	Q15761	1/20	0.62

▸	CXCR4	P61073	1/20	0.61

▸	CCKBR	P32239	2/20	0.59

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
SCHEMBL31402803	0.92	GLP1R (0.69)	KEAP1C5AR1GLP1RGCGRNPY1R
SCHEMBL31547374	0.92	GLP1R (0.70)	KEAP1C5AR1GLP1RGCGRNPY1R
SCHEMBL30883203	0.91	NPY1R (0.65)	KEAP1C5AR1GLP1RF2GCGR
SCHEMBL30578713	0.91	C5AR1 (0.73)	KEAP1C5AR1GLP1RF2GCGR
SCHEMBL30495617	0.90	CALCR (0.68)	KEAP1GLP1RF2GCGRGIPR
SCHEMBL31547378	0.89	NPY2R (0.72)	KEAP1C5AR1GLP1RNPY1RNPY2R
SCHEMBL29614997	0.89	GLP1R (0.62)	KEAP1C5AR1GLP1RF2GCGR
SCHEMBL30598153	0.89	NPY1R (0.70)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL30598194	0.89	NPY1R (0.71)	GLP1RGCGRGIPRNPY1RNPY2R
SCHEMBL29697161	0.89	CXCR4 (0.68)	C5AR1CXCR4

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