SCHEMBL30432039

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.67

▸	OPRM1	P35372	3/20	0.57

▸	OPRD1	P41143	3/20	0.57

▸	OPRK1	P41145	3/20	0.57

▸	BACE1	P56817	2/20	0.57

▸	BACE2	Q9Y5Z0	2/20	0.57

▸	GLP1R	P43220	2/20	0.56

▸	VIPR1	P32241	1/20	0.55

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
SCHEMBL30429902	0.94	TFPI (0.68)	TFPIBACE1BACE2GLP1RVIPR1
SCHEMBL29702222	0.90	TFPI (0.61)	TFPIOPRM1OPRD1OPRK1GLP1R
SCHEMBL29376362	0.90	TFPI (0.66)	TFPIBACE1BACE2GLP1RVIPR1
SCHEMBL30721553	0.90	TFPI (0.66)	TFPIBACE1BACE2GLP1RVIPR1
SCHEMBL29373682	0.90	TFPI (0.68)	TFPIOPRM1OPRD1OPRK1BACE1
SCHEMBL30836920	0.90	TFPI (0.66)	TFPIGLP1RVIPR1
SCHEMBL30271990	0.90	TFPI (0.67)	TFPIBACE1BACE2GLP1RVIPR1
SCHEMBL30721600	0.90	TFPI (0.64)	TFPIBACE1BACE2GLP1RVIPR1
SCHEMBL31013514	0.90	OPRL1 (0.58)	TFPIBACE1
SCHEMBL29373287	0.89	TFPI (0.66)	TFPIOPRM1OPRD1OPRK1BACE1

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