SCHEMBL30433044

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

nearest known ligand 0.66

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	20/20	0.66

▸	CTSD	P07339	1/20	0.64

▸	BACE2	Q9Y5Z0	4/20	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
SCHEMBL30437477	0.94	BACE1 (0.67)	BACE1CTSDBACE2
SCHEMBL30436893	0.89	BACE1 (0.57)	BACE1CTSDBACE2
SCHEMBL31497353	0.88	BACE1 (0.62)	BACE1CTSDBACE2
SCHEMBL29609357	0.88	TFPI (0.64)	BACE1BACE2
SCHEMBL29699573	0.87	BACE1 (0.64)	BACE1CTSDBACE2
SCHEMBL29695500	0.87	BACE1 (0.61)	BACE1CTSDBACE2
SCHEMBL29695612	0.86	BACE1 (0.67)	BACE1CTSDBACE2
SCHEMBL31182625	0.86	BACE1 (0.57)	BACE1BACE2
SCHEMBL38664588	0.86	BACE1 (0.68)	BACE1
SCHEMBL30176488	0.86	BACE1 (0.62)	BACE1BACE2

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