SCHEMBL30431833

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	GLP1R	P43220	15/20	0.65

▸	ECE1	P42892	1/20	0.65

▸	MUS81	Q96NY9	1/20	0.65

▸	GCGR	P47871	1/20	0.64

▸	GIPR	P48546	1/20	0.64

▸	PTH1R	Q03431	4/20	0.64

▸	CCKBR	P32239	1/20	0.60

▸	RXFP1	Q9HBX9	1/20	0.60

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
SCHEMBL30431773	0.97	PTH1R (0.65)	GLP1RECE1MUS81GCGRGIPR
SCHEMBL31622727	0.93	GLP1R (0.61)	GLP1RECE1MUS81GCGRGIPR
SCHEMBL31053397	0.93	GLP1R (0.61)	GLP1RECE1MUS81GCGRGIPR
SCHEMBL30763298	0.93	GLP1R (0.61)	GLP1RECE1MUS81GCGRGIPR
SCHEMBL29894848	0.92	GLP1R (0.60)	GLP1RECE1MUS81GCGRGIPR
SCHEMBL29706188	0.92	PTH1R (0.67)	GLP1RECE1MUS81GCGRGIPR
SCHEMBL30933203	0.91	IL23R (0.64)	GLP1RECE1MUS81GCGRGIPR
SCHEMBL30005503	0.91	GLP1R (0.77)	GLP1RECE1MUS81GCGRGIPR
SCHEMBL30216755	0.91	GLP1R (0.72)	GLP1RECE1MUS81GCGRGIPR
SCHEMBL30506350	0.91	GLP1R (0.68)	GLP1RECE1MUS81GCGRGIPR

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