SCHEMBL30495769

CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.69

▸	MAPK9	P45984	1/20	0.69

▸	MAPK10	P53779	1/20	0.69

▸	NPY2R	P49146	8/20	0.68

▸	NPY4R	P50391	8/20	0.68

▸	NPY5R	Q15761	8/20	0.68

▸	NPY1R	P25929	6/20	0.68

▸	KDM1A	O60341	2/20	0.65

▸	CALCR	P30988	4/20	0.65

▸	RAMP3	O60896	3/20	0.65

▸	TFPI	P10646	3/20	0.63

▸	KEAP1	Q14145	1/20	0.63

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
SCHEMBL30658402	0.92	NPY2R (0.68)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31000908	0.91	NPY2R (0.72)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30906377	0.91	NPY2R (0.71)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29868596	0.90	CALCR (0.69)	NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30906497	0.90	NPY2R (0.69)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL31182520	0.90	KDM1A (0.67)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30906464	0.89	NPY2R (0.70)	NPY2RNPY4RNPY5RNPY1RCALCR
SCHEMBL29393469	0.89	MAPK8 (0.73)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL31182865	0.89	MAPK8 (0.73)	MAPK8MAPK9MAPK10NPY2RNPY4R
SCHEMBL30712941	0.89	MAPK8 (0.73)	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 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed