SCHEMBL3669368

COC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CASP3	P42574	3/20	0.45

▸	BACE1	P56817	3/20	0.39

▸	PTPN1	P18031	5/20	0.39

▸	MDM4	O15151	1/20	0.38

▸	TP53	P04637	1/20	0.38

▸	TLR2	O60603	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
SCHEMBL1410927	0.92	CASP3 (0.46)	CASP3PTPN1MDM4TP53
SCHEMBL1411037	0.92	CASP3 (0.46)	CASP3PTPN1MDM4TP53
SCHEMBL2197673	0.90	CASP3 (0.48)	CASP3BACE1PTPN1MDM4TP53
SCHEMBL2197679	0.90	CASP3 (0.48)	CASP3BACE1PTPN1MDM4TP53
SCHEMBL2193892	0.89	CASP3 (0.43)	CASP3PTPN1MDM4TP53
SCHEMBL2193899	0.89	CASP3 (0.43)	CASP3PTPN1MDM4TP53
SCHEMBL2199165	0.88	PTPN1 (0.44)	CASP3PTPN1MDM4TP53
SCHEMBL2199171	0.88	PTPN1 (0.44)	CASP3PTPN1MDM4TP53
SCHEMBL2195947	0.86	TLR2 (0.43)	CASP3BACE1PTPN1MDM4TP53
SCHEMBL2195954	0.86	TLR2 (0.43)	CASP3BACE1PTPN1MDM4TP53

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-2010116173-A1	DEPSIPEPTIDES AND THEIR THERAPEUTIC USE	KARUS THERAPEUTICS LIMITED (GB)	2010-10-14	—	—	WO	disclosed