SCHEMBL30432221

CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	IL23R	Q5VWK5	2/20	0.62

▸	KEAP1	Q14145	1/20	0.60

▸	CXCR4	P61073	1/20	0.58

▸	NPY1R	P25929	1/20	0.57

▸	NPY2R	P49146	1/20	0.57

▸	NPY4R	P50391	1/20	0.57

▸	NPY5R	Q15761	1/20	0.57

▸	GLP1R	P43220	6/20	0.57

▸	GCGR	P47871	4/20	0.57

▸	PTH1R	Q03431	5/20	0.57

▸	C5AR1	P21730	1/20	0.56

▸	MC4R	P32245	1/20	0.56

▸	MC5R	P33032	1/20	0.56

▸	MC3R	P41968	1/20	0.56

▸	MC1R	Q01726	1/20	0.56

▸	GIPR	P48546	1/20	0.55

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
SCHEMBL31182954	0.91	KEAP1 (0.67)	KEAP1CXCR4NPY1RNPY2RNPY4R
SCHEMBL31182666	0.89	CXCR4 (0.68)	IL23RKEAP1CXCR4NPY1RNPY2R
SCHEMBL30512592	0.89	CXCR4 (0.60)	IL23RKEAP1CXCR4NPY1RNPY2R
SCHEMBL31182936	0.89	NPY2R (0.68)	IL23RKEAP1NPY1RNPY2RNPY4R
SCHEMBL30658254	0.88	KEAP1 (0.72)	KEAP1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29645132	0.88	CXCR4 (0.62)	IL23RKEAP1CXCR4NPY1RNPY2R
SCHEMBL30495836	0.87	GLP1R (0.66)	KEAP1CXCR4NPY1RNPY2RNPY4R
SCHEMBL30512708	0.87	CXCR4 (0.60)	IL23RCXCR4NPY1RNPY2RNPY4R
SCHEMBL30607294	0.87	CXCR4 (0.72)	IL23RKEAP1CXCR4NPY1RNPY2R
SCHEMBL31046793	0.86	C5AR1 (0.61)	IL23RCXCR4GLP1RGCGRC5AR1

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