SCHEMBL30432286

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

nearest known ligand 0.59

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CRHR1	P34998	1/20	0.55

▸	CRHR2	Q13324	1/20	0.55

▸	MAPK8	P45983	1/20	0.53

▸	MAPK9	P45984	1/20	0.53

▸	MAPK10	P53779	1/20	0.53

▸	CALCRL	Q16602	1/20	0.53

▸	CALCR	P30988	4/20	0.52

▸	F2	P00734	4/20	0.52

▸	NPY2R	P49146	6/20	0.50

▸	NPY4R	P50391	6/20	0.50

▸	NPY5R	Q15761	6/20	0.50

▸	NPY1R	P25929	4/20	0.50

▸	EP300	Q09472	1/20	0.50

▸	HIF1A	Q16665	1/20	0.50

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
SCHEMBL30547468	0.88	AGTR2 (0.56)	CRHR1CRHR2MAPK8MAPK9MAPK10
SCHEMBL31182814	0.87	F2 (0.57)	F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30431820	0.87	CALCR (0.60)	MAPK8MAPK9MAPK10CALCRF2
SCHEMBL29430201	0.86	F2 (0.57)	MAPK8MAPK9MAPK10CALCRLCALCR
SCHEMBL30422996	0.86	EP300 (0.60)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29679864	0.86	MAPK8 (0.62)	MAPK8MAPK9MAPK10CALCRNPY2R
SCHEMBL31275234	0.86	CALCRL (0.53)	MAPK8MAPK9MAPK10CALCRLCALCR
SCHEMBL30567788	0.86	EP300 (0.58)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30607406	0.86	NPY2R (0.61)	CALCRLCALCRF2NPY2RNPY4R
SCHEMBL30571123	0.85	CALCRL (0.61)	MAPK8MAPK9MAPK10CALCRL

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