SCHEMBL30431804

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.66

▸	MAPK9	P45984	1/20	0.66

▸	MAPK10	P53779	1/20	0.66

▸	REN	P00797	10/20	0.60

▸	CALCR	P30988	4/20	0.58

▸	KDM1A	O60341	2/20	0.57

▸	HCRTR1	O43613	1/20	0.54

▸	HCRTR2	O43614	1/20	0.54

▸	NPY1R	P25929	1/20	0.53

▸	NPY2R	P49146	1/20	0.53

▸	NPY4R	P50391	1/20	0.53

▸	NPY5R	Q15761	1/20	0.53

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
SCHEMBL30804679	0.90	MAPK8 (0.62)	MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL31182803	0.89	CALCR (0.71)	MAPK8MAPK9MAPK10CALCRKDM1A
SCHEMBL31182939	0.88	MAPK8 (0.73)	MAPK8MAPK9MAPK10CALCRKDM1A
SCHEMBL29382839	0.86	CALCR (0.65)	MAPK8MAPK9MAPK10RENCALCR
SCHEMBL30495768	0.86	MAPK8 (0.60)	MAPK8MAPK9MAPK10RENCALCR
SCHEMBL29393469	0.86	MAPK8 (0.73)	MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL31462022	0.85	MAPK8 (0.55)	MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL29903379	0.85	NTSR2 (0.58)	MAPK8MAPK9MAPK10CALCRKDM1A
SCHEMBL31462041	0.85	MAPK8 (0.55)	MAPK8MAPK9MAPK10RENKDM1A
SCHEMBL31182783	0.84	CALCR (0.63)	MAPK8MAPK9MAPK10CALCRNPY1R

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