SCHEMBL30646299

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.63

▸	MAPK9	P45984	1/20	0.63

▸	MAPK10	P53779	1/20	0.63

▸	CALCR	P30988	3/20	0.61

▸	GLP1R	P43220	9/20	0.57

▸	KEAP1	Q14145	1/20	0.57

▸	NPY1R	P25929	2/20	0.56

▸	CXCR4	P61073	2/20	0.56

▸	GCGR	P47871	5/20	0.55

▸	GIPR	P48546	5/20	0.55

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
SCHEMBL29416036	1.00	MAPK8 (0.63)	MAPK8MAPK9MAPK10CALCRGLP1R
SCHEMBL31754008	0.90	CALCR (0.65)	MAPK8MAPK9MAPK10CALCRGLP1R
SCHEMBL30862326	0.89	CALCR (0.70)	MAPK8MAPK9MAPK10CALCRGLP1R
SCHEMBL30938250	0.89	CALCR (0.67)	MAPK8MAPK9MAPK10CALCRGLP1R
SCHEMBL29370426	0.89	CALCR (0.67)	MAPK8MAPK9MAPK10CALCRGLP1R
SCHEMBL29754385	0.89	MAPK8 (0.64)	MAPK8MAPK9MAPK10CALCRKEAP1
SCHEMBL29414492	0.89	CALCR (0.68)	MAPK8MAPK9MAPK10CALCRKEAP1
SCHEMBL30938249	0.89	CALCR (0.68)	MAPK8MAPK9MAPK10CALCRKEAP1
SCHEMBL30999376	0.88	CALCR (0.68)	CALCRGLP1RNPY1RGCGR
SCHEMBL31633285	0.88	CALCR (0.60)	MAPK8MAPK9MAPK10CALCRGLP1R

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
EP-4275688-A2	METHOD OF AMELIORATING OR PREVENTING THE WORSENING OR THE PROGRESSION OF SYMPTOMS OF BPH	Nymox Corporation (BS)	2023-11-15	—	—	EP	disclosed