SCHEMBL17450537

CCOC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PRCP	P42785	1/20	0.43

▸	ACE	P12821	3/20	0.41

▸	LMNA	P02545	1/20	0.41

▸	MDM4	O15151	2/20	0.41

▸	TP53	P04637	2/20	0.41

▸	FDFT1	P37268	2/20	0.41

▸	ADORA1	P30542	1/20	0.40

▸	SMN1; SMN2	Q16637	1/20	0.39

▸	ACE2	Q9BYF1	1/20	0.38

▸	MDM2	Q00987	1/20	0.37

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
SCHEMBL30962356	0.90	PRCP (0.46)	PRCPACELMNAMDM4TP53
SCHEMBL29777562	0.88	PRCP (0.46)	PRCPACEMDM4TP53FDFT1
SCHEMBL17450539	0.84	ACE (0.45)	ACELMNAADORA1SMN1; SMN2
SCHEMBL29812564	0.84	PRCP (0.43)	PRCPMDM4TP53FDFT1MDM2
SCHEMBL17450535	0.83	LMNA (0.47)	ACELMNASMN1; SMN2
SCHEMBL17450514	0.83	ACE (0.44)	ACELMNAADORA1SMN1; SMN2
SCHEMBL29777558	0.83	PRCP (0.42)	PRCPACEMDM4TP53FDFT1
SCHEMBL23014549	0.80	PRCP (0.42)	PRCPACELMNAMDM4TP53
SCHEMBL23014548	0.80	PRCP (0.42)	PRCPACELMNAMDM4TP53
SCHEMBL18913343	0.79	REN (0.41)	PRCPFDFT1

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-2016009341-A1	THIOREDOXIN MIMETIC PRODRUGS AND USES THEREOF	RADIKAL THERAPEUTICS INC. (US)	2016-01-21	—	—	WO	disclosed