SCHEMBL30432822

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.62

▸	MAPK9	P45984	1/20	0.62

▸	MAPK10	P53779	1/20	0.62

▸	NPY2R	P49146	10/20	0.61

▸	NPY4R	P50391	8/20	0.61

▸	NPY5R	Q15761	8/20	0.61

▸	NPY1R	P25929	8/20	0.61

▸	CXCR4	P61073	2/20	0.54

▸	TFPI	P10646	1/20	0.54

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
SCHEMBL31182959	0.90	MAPK8 (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182641	0.89	MAPK8 (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182572	0.89	NPY2R (0.62)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30658396	0.89	NPY2R (0.67)	NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30262046	0.88	NPY2R (0.69)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL29988048	0.88	NPY2R (0.64)	NPY2RNPY4RNPY5RNPY1RCXCR4
SCHEMBL30400505	0.88	NPY2R (0.65)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31633302	0.88	NPY2R (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30883200	0.88	NPY2R (0.59)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30105815	0.88	NPY2R (0.63)	MAPK8MAPK9MAPK10NPY2RNPY4R

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