SCHEMBL30432510

CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.73

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	3/20	0.60

▸	IL23R	Q5VWK5	1/20	0.58

▸	TFPI	P10646	4/20	0.58

▸	NPY2R	P49146	7/20	0.57

▸	NPY4R	P50391	7/20	0.57

▸	NPY5R	Q15761	7/20	0.57

▸	NPY1R	P25929	5/20	0.57

▸	CXCR4	P61073	1/20	0.56

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
SCHEMBL30495756	0.90	CALCR (0.64)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL29939229	0.90	CALCR (0.61)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL29523674	0.89	CALCR (0.70)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL31182666	0.89	CXCR4 (0.68)	IL23RNPY2RNPY4RNPY5RNPY1R
SCHEMBL31281288	0.89	MAPK8 (0.60)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30938250	0.88	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29370426	0.88	CALCR (0.67)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30938249	0.88	CALCR (0.68)	CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29531542	0.88	NPY2R (0.63)	CALCRTFPINPY2RNPY4RNPY5R
SCHEMBL29939518	0.88	CALCR (0.58)	CALCRTFPINPY2RNPY4RNPY5R

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