SCHEMBL6024083

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)NCc1cc2ccccc2oc1=O)[C@@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	MAGI3	Q5TCQ9	1/20	0.42

▸	BACE1	P56817	1/20	0.38

▸	EDNRA	P25101	1/20	0.38

▸	ENPEP	Q07075	5/20	0.38

▸	PTPN1	P18031	1/20	0.37

▸	F2	P00734	2/20	0.37

▸	MAOA	P21397	1/20	0.36

▸	MAOB	P27338	1/20	0.36

▸	KEAP1	Q14145	1/20	0.36

▸	MMP2	P08253	1/20	0.36

▸	MMP9	P14780	1/20	0.36

▸	ADAM17	P78536	1/20	0.36

▸	PTGER4	P35408	2/20	0.36

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
SCHEMBL2168561	0.88	CASP3 (0.41)	BACE1MAOAMAOBMMP2MMP9
SCHEMBL4321426	0.82	BACE1 (0.44)	BACE1PTGER4
SCHEMBL2157993	0.79	CASP3 (0.57)	PTGER4
SCHEMBL3366840	0.75	CASP1 (0.51)	BACE1
SCHEMBL29850978	0.73	KDM4E (0.48)	MAGI3
SCHEMBL29449888	0.72	MAP2K1 (0.48)	MAGI3
SCHEMBL5614017	0.72	MAOB (0.41)	BACE1MAOAMAOBMMP2MMP9
SCHEMBL14968961	0.72	PTGER4 (0.51)	PTGER4
SCHEMBL24709624	0.72	MAGI3 (0.39)	MAGI3BACE1EDNRAENPEPPTPN1
SCHEMBL7220733	0.72	TSHR (0.49)	MAOAMAOBMMP2MMP9ADAM17

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
US-20060029995-A1	Novel class of metacaspases	VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE)	2006-02-09	—	—	US	disclosed