SCHEMBL30431667

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)CN)C(C)C)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.59

▸	BACE1	P56817	5/20	0.54

▸	BACE2	Q9Y5Z0	1/20	0.54

▸	KEAP1	Q14145	1/20	0.53

▸	OPRL1	P41146	1/20	0.52

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
SCHEMBL31385126	0.89	TFPI (0.63)	TFPIBACE1BACE2OPRL1
SCHEMBL29399039	0.88	CTSB (0.56)	KEAP1
SCHEMBL30431998	0.86	TFPI (0.50)	TFPI
SCHEMBL30437795	0.85	OPRM1 (0.55)	TFPIBACE1
SCHEMBL29716608	0.84	GLP1R (0.58)	TFPI
SCHEMBL29458126	0.84	GLP1R (0.58)	TFPI
SCHEMBL30312048	0.84	BACE1 (0.60)	TFPIBACE1BACE2
SCHEMBL30862325	0.84	TFPI (0.58)	TFPIBACE1BACE2KEAP1
SCHEMBL29904036	0.83	TFPI (0.51)	TFPIBACE1
SCHEMBL31538474	0.83	OPRM1 (0.56)	TFPIBACE1BACE2KEAP1

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