SCHEMBL9849432

COc1cc(C[C@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)c2nccs2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	9/20	0.36

▸	LMNA	P02545	1/20	0.36

▸	BACE1	P56817	4/20	0.35

▸	MMP1	P03956	1/20	0.35

▸	APP	P05067	1/20	0.35

▸	PSEN1	P49768	1/20	0.35

▸	PSEN2	P49810	1/20	0.35

▸	APH1B	Q8WW43	1/20	0.35

▸	NCSTN	Q92542	1/20	0.35

▸	APH1A	Q96BI3	1/20	0.35

▸	PSENEN	Q9NZ42	1/20	0.35

▸	CTSD	P07339	1/20	0.34

▸	BACE2	Q9Y5Z0	1/20	0.34

▸	BRD4	O60885	1/20	0.34

▸	MAPT	P10636	1/20	0.34

▸	SMN1; SMN2	Q16637	1/20	0.34

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
SCHEMBL9849427	1.00	REN (0.36)	RENLMNABACE1MMP1APP
SCHEMBL9740006	0.87	REN (0.48)	RENAPPPSEN1PSEN2APH1B
SCHEMBL9740000	0.87	REN (0.48)	RENAPPPSEN1PSEN2APH1B
SCHEMBL9849618	0.87	REN (0.48)	RENAPPPSEN1PSEN2APH1B
SCHEMBL9740255	0.87	REN (0.48)	RENAPPPSEN1PSEN2APH1B
SCHEMBL9740083	0.80	REN (0.44)	REN
SCHEMBL9740085	0.80	REN (0.44)	REN
SCHEMBL9740591	0.78	REN (0.54)	REN
SCHEMBL9740589	0.78	REN (0.54)	REN
SCHEMBL9849779	0.78	GAA (0.47)	RENBACE1PSEN1PSEN2APH1B

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
EP-0427939-A2	Renin inhibitors	AMERICAN CYANAMID COMPANY (US)	1991-05-22	—	—	EP	disclosed