SCHEMBL29679565

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	XIAP	P98170	1/20	0.44

▸	KEAP1	Q14145	1/20	0.43

▸	CALCRL	Q16602	3/20	0.42

▸	F2	P00734	4/20	0.42

▸	NTSR1	P30989	3/20	0.41

▸	NTSR2	O95665	2/20	0.41

▸	SORT1	Q99523	2/20	0.41

▸	ENPEP	Q07075	5/20	0.40

▸	MAPK8	P45983	1/20	0.40

▸	MAPK9	P45984	1/20	0.40

▸	MAPK10	P53779	1/20	0.40

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
SCHEMBL29679838	0.95	CALCRL (0.43)	XIAPKEAP1CALCRLF2MAPK8
SCHEMBL29679669	0.95	CALCRL (0.43)	XIAPKEAP1CALCRLF2NTSR1
SCHEMBL29680178	0.89	CALCRL (0.45)	XIAPCALCRLF2NTSR1NTSR2
SCHEMBL29679788	0.83	F2 (0.54)	F2NTSR1NTSR2SORT1
SCHEMBL25524242	0.80	AGTR2 (0.50)	XIAPCALCRLNTSR1NTSR2SORT1
SCHEMBL22484304	0.79	XIAP (0.50)	XIAPCALCRLNTSR1NTSR2SORT1
SCHEMBL22484305	0.79	XIAP (0.50)	XIAPCALCRLNTSR1NTSR2SORT1
SCHEMBL30603414	0.79	XIAP (0.52)	XIAPNTSR1NTSR2SORT1
SCHEMBL31510128	0.79	XIAP (0.55)	XIAPCALCRLNTSR1NTSR2SORT1
SCHEMBL30102186	0.78	XIAP (0.46)	XIAPF2NTSR1NTSR2SORT1

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