SCHEMBL30432474

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

nearest known ligand 0.55

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.53

▸	EP300	Q09472	1/20	0.53

▸	HIF1A	Q16665	1/20	0.53

▸	GLP1R	P43220	1/20	0.52

▸	GCGR	P47871	1/20	0.52

▸	GIPR	P48546	1/20	0.52

▸	CRHR1	P34998	1/20	0.52

▸	CRHR2	Q13324	1/20	0.52

▸	NPY2R	P49146	7/20	0.52

▸	NPY4R	P50391	7/20	0.52

▸	NPY5R	Q15761	7/20	0.52

▸	NPY1R	P25929	5/20	0.52

▸	MAPK8	P45983	1/20	0.51

▸	MAPK9	P45984	1/20	0.51

▸	MAPK10	P53779	1/20	0.51

▸	F2	P00734	3/20	0.51

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
SCHEMBL30262103	0.88	F2 (0.60)	CALCREP300HIF1ANPY2RNPY4R
SCHEMBL30441868	0.87	F2 (0.52)	CALCRGLP1RGCGRGIPRNPY2R
SCHEMBL31256989	0.87	C5AR1 (0.50)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30442638	0.87	F2 (0.51)	CALCRGLP1RGCGRGIPRNPY2R
SCHEMBL30862104	0.86	CTSL (0.52)	GLP1RGCGRNPY2RNPY4RNPY5R
SCHEMBL31454240	0.86	F2 (0.59)	CALCREP300HIF1AGLP1RCRHR1
SCHEMBL30487130	0.86	MAPK8 (0.57)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182889	0.86	MAPK8 (0.68)	CALCRGLP1RGCGRGIPRCRHR1
SCHEMBL29808351	0.86	F2 (0.54)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974077	0.85	EPHA2 (0.57)	CALCRGLP1RGCGRGIPRF2

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