SCHEMBL30432548

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.63

▸	KEAP1	Q14145	1/20	0.59

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	APLNR	P35414	1/20	0.56

▸	GLP1R	P43220	6/20	0.55

▸	NPY2R	P49146	5/20	0.55

▸	NPY4R	P50391	5/20	0.55

▸	NPY5R	Q15761	5/20	0.55

▸	NPY1R	P25929	3/20	0.55

▸	GCGR	P47871	5/20	0.55

▸	GIPR	P48546	5/20	0.55

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
SCHEMBL29430197	0.89	CALCR (0.70)	CALCRKEAP1CRHR1CRHR2APLNR
SCHEMBL30511775	0.89	CALCR (0.64)	CALCRKEAP1CRHR1CRHR2GLP1R
SCHEMBL31419687	0.89	CALCR (0.69)	CALCRKEAP1CRHR1CRHR2GLP1R
SCHEMBL31419704	0.88	CALCR (0.68)	CALCRKEAP1CRHR1CRHR2GLP1R
SCHEMBL31000899	0.88	CALCR (0.69)	CALCRKEAP1CRHR1CRHR2APLNR
SCHEMBL30658270	0.88	CALCR (0.71)	CALCRKEAP1CRHR1CRHR2GLP1R
SCHEMBL30262064	0.88	CALCR (0.60)	CALCRKEAP1APLNRGLP1RGCGR
SCHEMBL29949373	0.87	CALCR (0.70)	CALCRKEAP1CRHR1CRHR2APLNR
SCHEMBL30567003	0.87	CALCR (0.67)	CALCRKEAP1CRHR1CRHR2APLNR
SCHEMBL29649214	0.87	NPY2R (0.62)	CALCRKEAP1NPY2RNPY4RNPY5R

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