SCHEMBL29679857

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O)[C@@H](C)O

nearest known ligand 0.61

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KEAP1	Q14145	1/20	0.61

▸	MAPK8	P45983	1/20	0.57

▸	MAPK9	P45984	1/20	0.57

▸	MAPK10	P53779	1/20	0.57

▸	REN	P00797	11/20	0.52

▸	CALCRL	Q16602	1/20	0.52

▸	F2	P00734	2/20	0.45

▸	CDYL2	Q8N8U2	1/20	0.45

▸	CDYL	Q9Y232	1/20	0.45

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
SCHEMBL29376375	0.90	KEAP1 (0.60)	KEAP1MAPK8MAPK9MAPK10REN
SCHEMBL31177227	0.87	MAPK8 (0.60)	KEAP1MAPK8MAPK9MAPK10REN
SCHEMBL31410829	0.87	MAPK8 (0.62)	KEAP1MAPK8MAPK9MAPK10REN
SCHEMBL30906421	0.87	KEAP1 (0.68)	KEAP1MAPK8MAPK9MAPK10
SCHEMBL30436402	0.87	KEAP1 (0.55)	KEAP1MAPK8MAPK9MAPK10
SCHEMBL31401835	0.87	KEAP1 (0.65)	KEAP1MAPK8MAPK9MAPK10
SCHEMBL29607025	0.86	MAPK8 (0.63)	KEAP1MAPK8MAPK9MAPK10REN
SCHEMBL30686009	0.85	MAPK8 (0.49)	KEAP1MAPK8MAPK9MAPK10REN
SCHEMBL29531747	0.85	KEAP1 (0.45)	KEAP1MAPK8MAPK9MAPK10CALCRL
SCHEMBL30906548	0.85	KEAP1 (0.72)	KEAP1MAPK8MAPK9MAPK10

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	claimed