SCHEMBL30433557

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)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](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	KISS1R	Q969F8	6/20	0.54

▸	BACE1	P56817	8/20	0.53

▸	NPY1R	P25929	1/20	0.52

▸	NPY2R	P49146	1/20	0.52

▸	NPY4R	P50391	1/20	0.52

▸	BACE2	Q9Y5Z0	2/20	0.51

▸	CTSD	P07339	1/20	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
SCHEMBL30784953	0.89	BACE1 (0.60)	BACE1NPY1RNPY2RNPY4RBACE2
SCHEMBL31690551	0.89	KISS1R (0.56)	KISS1RBACE1BACE2
SCHEMBL29678306	0.89	KISS1R (0.56)	KISS1RBACE1BACE2
SCHEMBL14060524	0.89	BACE1 (0.52)	KISS1RBACE1NPY1RNPY2RNPY4R
SCHEMBL30546676	0.89	BACE1 (0.51)	KISS1RBACE1NPY1RNPY2RNPY4R
SCHEMBL29416155	0.88	BACE1 (0.68)	KISS1RBACE1BACE2CTSD
SCHEMBL30609017	0.88	BACE1 (0.56)	KISS1RBACE1NPY1RNPY2RNPY4R
SCHEMBL32691347	0.87	NPY1R (0.57)	KISS1RBACE1NPY1RNPY2RNPY4R
SCHEMBL29730544	0.87	NPY4R (0.58)	KISS1RBACE1NPY1RNPY2RNPY4R
SCHEMBL30184346	0.87	NPY4R (0.56)	KISS1RBACE1NPY1RNPY2RNPY4R

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