SCHEMBL29679870

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

nearest known ligand 0.59

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.54

▸	MAPK9	P45984	1/20	0.54

▸	MAPK10	P53779	1/20	0.54

▸	EP300	Q09472	1/20	0.54

▸	HIF1A	Q16665	1/20	0.54

▸	CALCRL	Q16602	3/20	0.54

▸	NMUR2	Q9GZQ4	5/20	0.53

▸	NMUR1	Q9HB89	5/20	0.53

▸	RAMP1	O60894	1/20	0.53

▸	KEAP1	Q14145	2/20	0.53

▸	EPHA2	P29317	2/20	0.51

▸	NPY2R	P49146	4/20	0.50

▸	NPY4R	P50391	4/20	0.50

▸	NPY5R	Q15761	4/20	0.50

▸	NPY1R	P25929	3/20	0.50

▸	CXCR4	P61073	1/20	0.50

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
SCHEMBL29679520	0.92	MAPK8 (0.65)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30429680	0.90	EP300 (0.61)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31191386	0.89	MAPK8 (0.56)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31191418	0.89	NMUR2 (0.56)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30571141	0.88	MAPK8 (0.59)	MAPK8MAPK9MAPK10NMUR2NMUR1
SCHEMBL31005053	0.88	EPHA2 (0.57)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL30974204	0.88	EPHA2 (0.57)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL29679821	0.87	MAPK8 (0.63)	MAPK8MAPK9MAPK10CALCRLNMUR2
SCHEMBL30974488	0.87	EP300 (0.61)	MAPK8MAPK9MAPK10EP300HIF1A
SCHEMBL31005074	0.87	EP300 (0.61)	MAPK8MAPK9MAPK10EP300HIF1A

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
WO-2022069704-A2	IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS	INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE)	2022-04-07	—	—	WO	disclosed