SCHEMBL9848673

CC(C)[C@H](NC(=O)C(Cc1ccccc1)Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)(C)C)C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	12/20	0.53

▸	MME	P08473	1/20	0.50

▸	CTSD	P07339	1/20	0.48

▸	LTA4H	P09960	2/20	0.47

▸	CASP3	P42574	2/20	0.46

▸	CASP8	Q14790	2/20	0.46

▸	CASP1	P29466	1/20	0.46

▸	CASP7	P55210	1/20	0.46

▸	BACE2	Q9Y5Z0	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
SCHEMBL9848675	0.87	BACE1 (0.51)	BACE1CTSDCASP3CASP1CASP7
SCHEMBL9848704	0.84	OPRD1 (0.60)	BACE1CTSDCASP3CASP1CASP7
SCHEMBL9848649	0.82	BACE1 (0.55)	BACE1MMECTSDBACE2
SCHEMBL9848658	0.81	BACE1 (0.53)	BACE1MMECTSDBACE2
SCHEMBL29484978	0.80	BACE1 (0.66)	BACE1CTSDBACE2
SCHEMBL9848672	0.80	BACE1 (0.47)	BACE1CTSD
SCHEMBL9848626	0.78	MME (0.39)	BACE1MMECTSDLTA4HBACE2
SCHEMBL9848662	0.77	MME (0.39)	BACE1MMECTSDLTA4HCASP3
SCHEMBL29530803	0.77	BACE1 (0.56)	BACE1CTSDLTA4HBACE2
SCHEMBL9848652	0.77	BACE1 (0.55)	BACE1CTSDCASP3CASP8CASP1

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-0438873-A1	Inhibitor of ribonucleotide reductase of herpes viruses	MERCK & CO. INC. (US)	1991-07-31	—	—	EP	disclosed