SCHEMBL30432595

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.59

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.59

▸	MAPK9	P45984	1/20	0.59

▸	MAPK10	P53779	1/20	0.59

▸	KDM1A	O60341	3/20	0.56

▸	KEAP1	Q14145	1/20	0.54

▸	APLNR	P35414	1/20	0.53

▸	NPY2R	P49146	5/20	0.53

▸	NPY4R	P50391	5/20	0.53

▸	NPY5R	Q15761	5/20	0.53

▸	NPY1R	P25929	3/20	0.53

▸	F2	P00734	3/20	0.52

▸	MAOB	P27338	1/20	0.52

▸	KDM5A	P29375	1/20	0.52

▸	KDM1B	Q8NB78	1/20	0.52

▸	RAMP3	O60896	5/20	0.52

▸	CALCR	P30988	5/20	0.52

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
SCHEMBL30432425	0.87	KDM1A (0.60)	MAPK8MAPK9MAPK10KDM1ANPY2R
SCHEMBL31670660	0.86	NPY2R (0.66)	KDM1AAPLNRNPY2RNPY4RNPY5R
SCHEMBL31182661	0.86	F2 (0.65)	MAPK8MAPK9MAPK10KDM1AKEAP1
SCHEMBL30495819	0.86	NPY2R (0.59)	APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31307222	0.86	C5AR1 (0.56)	KDM1AAPLNRNPY2RNPY4RNPY5R
SCHEMBL31182785	0.86	MAPK8 (0.62)	MAPK8MAPK9MAPK10KEAP1CALCR
SCHEMBL29903222	0.85	MAPK8 (0.62)	MAPK8MAPK9MAPK10KDM1AAPLNR
SCHEMBL29649214	0.85	NPY2R (0.62)	KEAP1NPY2RNPY4RNPY5RNPY1R
SCHEMBL38662088	0.85	APLNR (0.63)	MAPK8MAPK9MAPK10APLNRNPY2R
SCHEMBL31000911	0.85	APLNR (0.58)	MAPK8MAPK9MAPK10APLNRNPY2R

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