SCHEMBL30432934

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.72

▸	MAPK9	P45984	1/20	0.72

▸	MAPK10	P53779	1/20	0.72

▸	KEAP1	Q14145	2/20	0.68

▸	NPY2R	P49146	8/20	0.64

▸	NPY4R	P50391	8/20	0.64

▸	NPY5R	Q15761	8/20	0.64

▸	NPY1R	P25929	6/20	0.64

▸	KDM1A	O60341	3/20	0.61

▸	TFPI	P10646	4/20	0.58

▸	MAOB	P27338	1/20	0.56

▸	KDM5A	P29375	1/20	0.56

▸	KDM1B	Q8NB78	1/20	0.56

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
SCHEMBL30436616	0.90	MAPK8 (0.69)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30607434	0.89	MAPK8 (0.66)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30712941	0.89	MAPK8 (0.73)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30495769	0.89	MAPK8 (0.69)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30436859	0.88	CALCR (0.61)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30495583	0.88	NPY2R (0.65)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29393469	0.88	MAPK8 (0.73)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL31255177	0.87	NPY2R (0.67)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30658329	0.87	NPY2R (0.66)	MAPK8MAPK9MAPK10KEAP1NPY2R
SCHEMBL30607487	0.87	NPY2R (0.69)	MAPK8MAPK9MAPK10NPY2RNPY4R

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