SCHEMBL29679527

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

nearest known ligand 0.66

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK8	P45983	1/20	0.66

▸	MAPK9	P45984	1/20	0.66

▸	MAPK10	P53779	1/20	0.66

▸	KEAP1	Q14145	1/20	0.65

▸	PTH1R	Q03431	2/20	0.59

▸	GLP1R	P43220	6/20	0.56

▸	ECE1	P42892	1/20	0.55

▸	MUS81	Q96NY9	1/20	0.55

▸	VIPR1	P32241	2/20	0.55

▸	VIPR2	P41587	1/20	0.55

▸	TFPI	P10646	1/20	0.54

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
SCHEMBL30906363	0.96	KEAP1 (0.65)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL30824283	0.93	KEAP1 (0.71)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL30906447	0.93	KEAP1 (0.66)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL30906548	0.93	KEAP1 (0.72)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL30906421	0.92	KEAP1 (0.68)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL31401835	0.92	KEAP1 (0.65)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL30906522	0.90	MAPK8 (0.67)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL30906440	0.90	KEAP1 (0.68)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL30726561	0.90	KEAP1 (0.68)	MAPK8MAPK9MAPK10KEAP1PTH1R
SCHEMBL30432166	0.90	KEAP1 (0.65)	MAPK8MAPK9MAPK10KEAP1PTH1R

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