SCHEMBL29382839

CC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)O

nearest known ligand 0.69

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	CALCR	P30988	4/20	0.65

▸	MAPK8	P45983	1/20	0.62

▸	MAPK9	P45984	1/20	0.62

▸	MAPK10	P53779	1/20	0.62

▸	KEAP1	Q14145	1/20	0.60

▸	CRHR1	P34998	1/20	0.58

▸	CRHR2	Q13324	1/20	0.58

▸	KDM1A	O60341	2/20	0.58

▸	REN	P00797	3/20	0.58

▸	NPY2R	P49146	6/20	0.57

▸	NPY4R	P50391	6/20	0.57

▸	NPY5R	Q15761	6/20	0.57

▸	NPY1R	P25929	4/20	0.57

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
SCHEMBL29949398	0.90	CALCR (0.59)	CALCRMAPK8MAPK9MAPK10CRHR1
SCHEMBL29361874	0.90	MAPK8 (0.76)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL31031539	0.90	CALCR (0.63)	CALCRKEAP1CRHR1CRHR2NPY2R
SCHEMBL30658402	0.89	NPY2R (0.68)	CALCRMAPK8MAPK9MAPK10CRHR1
SCHEMBL31182783	0.89	CALCR (0.63)	CALCRMAPK8MAPK9MAPK10NPY2R
SCHEMBL30658245	0.89	CALCR (0.71)	CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL30495769	0.88	MAPK8 (0.69)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL30231927	0.87	REN (0.57)	MAPK8MAPK9MAPK10KDM1AREN
SCHEMBL30692668	0.87	CALCR (0.62)	CALCRMAPK8MAPK9MAPK10KEAP1
SCHEMBL31603945	0.87	CALCR (0.64)	CALCRCRHR1CRHR2NPY2RNPY4R

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-11246681-B2	Adjustable-prescription orthodontic brackets	Cosse, Christopher C. (US)	2022-02-15	—	—	US	disclosed