SCHEMBL30433100

CSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(=O)O)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](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	10/20	0.49

▸	CTSD	P07339	3/20	0.49

▸	CALCR	P30988	3/20	0.47

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
SCHEMBL30880901	0.89	BACE1 (0.49)	BACE1CTSD
SCHEMBL30495729	0.88	TFPI (0.51)	BACE1
SCHEMBL15761356	0.88	BACE1 (0.53)	BACE1CTSD
SCHEMBL31182821	0.86	BACE1 (0.57)	BACE1CALCR
SCHEMBL30436893	0.85	BACE1 (0.57)	BACE1CTSD
SCHEMBL29837169	0.85	CALCR (0.46)	BACE1CALCR
SCHEMBL30437302	0.85	CALCR (0.54)	BACE1CALCR
SCHEMBL6442033	0.85	BACE1 (0.54)	BACE1CTSDCALCR
SCHEMBL30880881	0.85	BACE1 (0.45)	BACE1CTSD
SCHEMBL30880875	0.85	BACE1 (0.45)	BACE1CTSD

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