SCHEMBL30432609

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	2/20	0.67

▸	GLP1R	P43220	4/20	0.66

▸	GCGR	P47871	3/20	0.66

▸	NMBR	P28336	1/20	0.63

▸	GRPR	P30550	1/20	0.63

▸	CALCR	P30988	3/20	0.62

▸	CTSL	P07711	2/20	0.62

▸	CTSS	P25774	2/20	0.62

▸	CTSK	P43235	2/20	0.62

▸	CTSH	P09668	1/20	0.62

▸	C5AR1	P21730	1/20	0.62

▸	CXCL8	P10145	1/20	0.61

▸	F2	P00734	3/20	0.61

▸	APLNR	P35414	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
SCHEMBL31457381	0.91	GLP1R (0.72)	CXCR4GLP1RGCGRCALCRC5AR1
SCHEMBL30845539	0.91	C5AR1 (0.72)	CXCR4GLP1RGCGRNMBRGRPR
SCHEMBL29416022	0.90	CXCR4 (0.72)	CXCR4GLP1RGCGRC5AR1
SCHEMBL30437189	0.89	CALCR (0.74)	CXCR4GLP1RGCGRCALCR
SCHEMBL30721555	0.89	CALCR (0.74)	GLP1RGCGRCALCR
SCHEMBL30721549	0.89	CALCR (0.74)	GLP1RGCGRCALCR
SCHEMBL30721569	0.89	CALCR (0.74)	GLP1RGCGRCALCR
SCHEMBL30721566	0.89	CALCR (0.74)	GLP1RGCGRCALCR
SCHEMBL30721596	0.89	CALCR (0.74)	GLP1RGCGRCALCR
SCHEMBL30721631	0.89	CALCR (0.74)	GLP1RGCGRCALCR

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