SCHEMBL10448117

CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	11/20	0.60

▸	CTSB	P07858	5/20	0.49

▸	CTSK	P43235	5/20	0.49

▸	BACE1	P56817	2/20	0.48

▸	CASP1	P29466	2/20	0.47

▸	CASP3	P42574	2/20	0.47

▸	CASP4	P49662	2/20	0.47

▸	CASP5	P51878	2/20	0.47

▸	CASP9	P55211	2/20	0.47

▸	CASP6	P55212	2/20	0.47

▸	CASP8	Q14790	2/20	0.47

▸	CASP10	Q92851	2/20	0.47

▸	CASP7	P55210	1/20	0.46

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
SCHEMBL11010625	0.89	REN (0.66)	RENCTSBCTSK
SCHEMBL11013919	0.89	REN (0.66)	RENCTSBCTSK
SCHEMBL10448119	0.88	REN (0.68)	RENCTSBCTSK
SCHEMBL11450698	0.82	MME (0.50)	CTSKCASP1CASP3CASP4CASP5
SCHEMBL10448496	0.81	REN (0.47)	REN
SCHEMBL9716847	0.80	REN (0.66)	RENCTSBCTSK
SCHEMBL10447999	0.79	REN (0.42)	REN
SCHEMBL10447998	0.79	REN (0.42)	REN
SCHEMBL11013722	0.77	REN (0.58)	REN
SCHEMBL10980049	0.75	REN (0.60)	RENCTSB

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-0386611-A2	Amino acid derivatives	F. HOFFMANN-LA ROCHE AG (CH)	1990-09-12	—	—	EP	disclosed