SCHEMBL30432010

CC(C)C[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](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(C)C)C(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	CAPN1	P07384	2/20	0.50

▸	EP300	Q09472	1/20	0.48

▸	HIF1A	Q16665	1/20	0.48

▸	KDM1A	O60341	3/20	0.47

▸	CALCR	P30988	7/20	0.47

▸	RAMP3	O60896	6/20	0.47

▸	KEAP1	Q14145	1/20	0.46

▸	MAOB	P27338	1/20	0.46

▸	KDM5A	P29375	1/20	0.46

▸	KDM1B	Q8NB78	1/20	0.46

▸	NPY2R	P49146	4/20	0.45

▸	NPY4R	P50391	4/20	0.45

▸	NPY5R	Q15761	4/20	0.45

▸	NPY1R	P25929	3/20	0.45

▸	F2	P00734	1/20	0.45

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
SCHEMBL30683558	0.86	CALCRL (0.46)	CAPN1KDM1ACALCRRAMP3KEAP1
SCHEMBL30262183	0.86	NPY2R (0.54)	EP300HIF1ACALCRRAMP3NPY2R
SCHEMBL30272460	0.86	CAPN1 (0.54)	CAPN1CALCRRAMP3NPY2RNPY4R
SCHEMBL30123183	0.85	OPRM1 (0.42)	CAPN1F2
SCHEMBL30495783	0.85	EP300 (0.48)	EP300HIF1ACALCRRAMP3KEAP1
SCHEMBL30978825	0.84	BACE1 (0.50)	CALCRRAMP3KEAP1NPY2RNPY4R
SCHEMBL30495744	0.84	CALCR (0.51)	CALCRRAMP3
SCHEMBL31182552	0.83	BACE1 (0.47)	CAPN1EP300HIF1ACALCRRAMP3
SCHEMBL30495673	0.83	BACE1 (0.49)	CAPN1KDM1AMAOBKDM5AKDM1B
SCHEMBL31031590	0.83	KDM1A (0.50)	CAPN1KDM1ACALCRRAMP3MAOB

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