SCHEMBL30432906

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

nearest known ligand 0.69

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.69

▸	GLP1R	P43220	2/20	0.58

▸	ECE1	P42892	1/20	0.58

▸	MUS81	Q96NY9	1/20	0.58

▸	VIPR1	P32241	2/20	0.57

▸	BACE1	P56817	1/20	0.57

▸	BACE2	Q9Y5Z0	1/20	0.57

▸	OPRM1	P35372	1/20	0.55

▸	OPRD1	P41143	1/20	0.55

▸	OPRK1	P41145	1/20	0.55

▸	VIPR2	P41587	1/20	0.55

▸	SCTR	P47872	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
SCHEMBL31664362	0.91	TFPI (0.67)	TFPIGLP1RECE1MUS81VIPR1
SCHEMBL31419699	0.91	TFPI (0.71)	TFPIGLP1RECE1MUS81VIPR1
SCHEMBL30601869	0.91	TFPI (0.79)	TFPIGLP1RECE1MUS81VIPR1
SCHEMBL30436216	0.91	TFPI (0.79)	TFPIGLP1RECE1MUS81VIPR1
SCHEMBL31047374	0.91	TFPI (0.66)	TFPIGLP1RECE1MUS81VIPR1
SCHEMBL31664374	0.91	TFPI (0.68)	TFPIGLP1RECE1MUS81VIPR1
SCHEMBL29591183	0.90	TFPI (0.67)	TFPIGLP1RECE1MUS81VIPR1
SCHEMBL30262077	0.90	TFPI (0.67)	TFPIVIPR1BACE1BACE2VIPR2
SCHEMBL30609200	0.90	TFPI (0.66)	TFPIGLP1RECE1MUS81VIPR1
SCHEMBL29903297	0.89	TFPI (0.71)	TFPIGLP1RECE1MUS81VIPR1

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