SCHEMBL30431331

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C)C(C)C)[C@@H](C)CC

nearest known ligand 0.53

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	7/20	0.53

▸	VIPR1	P32241	5/20	0.51

▸	RXFP1	Q9HBX9	1/20	0.50

▸	KEAP1	Q14145	1/20	0.46

▸	TFPI	P10646	1/20	0.46

▸	ECE1	P42892	1/20	0.46

▸	GLP1R	P43220	1/20	0.46

▸	MUS81	Q96NY9	1/20	0.46

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
SCHEMBL29677217	0.90	VIPR2 (0.57)	VIPR2VIPR1RXFP1TFPIECE1
SCHEMBL30262185	0.89	VIPR1 (0.57)	VIPR2VIPR1RXFP1TFPIECE1
SCHEMBL31182934	0.89	RXFP1 (0.58)	VIPR2VIPR1RXFP1TFPIECE1
SCHEMBL29677265	0.88	VIPR2 (0.57)	VIPR2VIPR1RXFP1TFPIECE1
SCHEMBL29736280	0.87	IL23R (0.46)	VIPR2RXFP1TFPI
SCHEMBL30433565	0.87	VIPR2 (0.53)	VIPR2VIPR1RXFP1TFPI
SCHEMBL30179580	0.87	VIPR1 (0.53)	VIPR2VIPR1RXFP1ECE1GLP1R
SCHEMBL30176490	0.87	VIPR1 (0.57)	VIPR2VIPR1RXFP1TFPIECE1
SCHEMBL30712890	0.87	VIPR2 (0.58)	VIPR2VIPR1RXFP1
SCHEMBL29624007	0.87	VIPR2 (0.52)	VIPR2VIPR1RXFP1KEAP1TFPI

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