SCHEMBL30432939

CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PTH1R	Q03431	10/20	0.65

▸	RXFP1	Q9HBX9	1/20	0.61

▸	GLP1R	P43220	3/20	0.60

▸	CCKBR	P32239	1/20	0.60

▸	VIPR1	P32241	1/20	0.60

▸	TFPI	P10646	1/20	0.58

▸	GCGR	P47871	1/20	0.58

▸	GIPR	P48546	1/20	0.58

▸	ECE1	P42892	1/20	0.58

▸	MUS81	Q96NY9	1/20	0.58

▸	VIPR2	P41587	1/20	0.57

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
SCHEMBL30607451	0.92	VIPR1 (0.69)	GLP1RCCKBRVIPR1TFPIGCGR
SCHEMBL30436591	0.91	VIPR1 (0.65)	PTH1RRXFP1GLP1RCCKBRVIPR1
SCHEMBL30176424	0.91	VIPR1 (0.63)	PTH1RGLP1RVIPR1TFPIGCGR
SCHEMBL29357155	0.90	GLP1R (0.64)	PTH1RRXFP1GLP1RCCKBRVIPR1
SCHEMBL30607324	0.90	VIPR1 (0.65)	PTH1RRXFP1GLP1RCCKBRVIPR1
SCHEMBL29964966	0.90	PTH1R (0.62)	PTH1RRXFP1GLP1RCCKBRVIPR1
SCHEMBL30262033	0.89	PTH1R (0.57)	PTH1RRXFP1GLP1RCCKBRVIPR1
SCHEMBL31517010	0.89	GLP1R (0.64)	RXFP1GLP1RCCKBRVIPR1TFPI
SCHEMBL30262056	0.88	KEAP1 (0.62)	PTH1RGLP1RCCKBRVIPR1VIPR2
SCHEMBL30906557	0.88	PTH1R (0.63)	PTH1RGLP1RVIPR1TFPIECE1

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