SCHEMBL30432828

CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	5/20	0.59

▸	CRHR1	P34998	1/20	0.57

▸	CRHR2	Q13324	1/20	0.57

▸	KEAP1	Q14145	1/20	0.54

▸	F2	P00734	4/20	0.52

▸	NMBR	P28336	1/20	0.50

▸	GRPR	P30550	1/20	0.50

▸	GLP1R	P43220	3/20	0.49

▸	GCGR	P47871	3/20	0.49

▸	HCRTR1	O43613	1/20	0.49

▸	HCRTR2	O43614	1/20	0.49

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
SCHEMBL30437302	0.86	CALCR (0.54)	CALCRCRHR1CRHR2KEAP1GRPR
SCHEMBL29446768	0.86	CALCR (0.58)	CALCRCRHR1CRHR2F2NMBR
SCHEMBL30607444	0.84	CALCR (0.68)	CALCRCRHR1CRHR2KEAP1F2
SCHEMBL30102058	0.84	CALCR (0.55)	CALCRCRHR1CRHR2F2NMBR
SCHEMBL31182920	0.84	CALCR (0.71)	CALCRCRHR1CRHR2F2NMBR
SCHEMBL29416078	0.84	CALCR (0.57)	CALCRCRHR1CRHR2KEAP1F2
SCHEMBL30567751	0.84	CALCR (0.71)	CALCRCRHR1CRHR2F2GLP1R
SCHEMBL29706318	0.84	CALCR (0.54)	CALCRCRHR1CRHR2F2
SCHEMBL30862331	0.83	CALCR (0.65)	CALCRCRHR1CRHR2F2NMBR
SCHEMBL30262108	0.83	F2 (0.53)	CALCRCRHR1CRHR2F2NMBR

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