SCHEMBL30433047

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

nearest known ligand 0.59

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	15/20	0.59

▸	TASP1	Q9H6P5	1/20	0.51

▸	CTSD	P07339	3/20	0.46

▸	BACE2	Q9Y5Z0	2/20	0.46

▸	RXFP1	Q9HBX9	1/20	0.45

▸	GRIN2D	O15399	1/20	0.44

▸	GRIN3B	O60391	1/20	0.44

▸	GRIN1	Q05586	1/20	0.44

▸	GRIN2A	Q12879	1/20	0.44

▸	GRIN2B	Q13224	1/20	0.44

▸	GRIN2C	Q14957	1/20	0.44

▸	GRIN3A	Q8TCU5	1/20	0.44

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
SCHEMBL30448853	0.92	BACE1 (0.55)	BACE1TASP1CTSDBACE2RXFP1
SCHEMBL30262011	0.90	TASP1 (0.53)	BACE1TASP1CTSDBACE2GRIN2D
SCHEMBL29882665	0.90	BACE1 (0.58)	BACE1TASP1CTSDGRIN2DGRIN3B
SCHEMBL30512767	0.87	BACE1 (0.53)	BACE1TASP1CTSDGRIN2DGRIN3B
SCHEMBL30633117	0.85	TASP1 (0.51)	BACE1TASP1CTSDBACE2RXFP1
SCHEMBL30980374	0.85	BACE1 (0.54)	BACE1TASP1CTSDBACE2
SCHEMBL29409597	0.85	BACE1 (0.60)	BACE1TASP1CTSDGRIN2DGRIN3B
SCHEMBL31341151	0.84	BACE1 (0.56)	BACE1CTSDBACE2
SCHEMBL38660823	0.84	TASP1 (0.61)	BACE1TASP1CTSDBACE2GRIN2D
SCHEMBL30163434	0.84	BACE1 (0.52)	BACE1TASP1BACE2

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