SCHEMBL9848683

CC(C)[C@H](N)C(=O)N[C@H](C(=O)N(C(=O)[C@@H](N)CC(=O)NCc1ccccc1)[C@@H](CC(=O)O)C(=O)N[C@H]([C]=O)CC(C)(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	2/20	0.35

▸	HPGD	P15428	2/20	0.35

▸	MEN1	O00255	1/20	0.35

▸	KMT2A	Q03164	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.33

▸	CTSD	P07339	2/20	0.32

▸	DPP4	P27487	1/20	0.32

▸	DPP8	Q6V1X1	1/20	0.32

▸	CTSE	P14091	1/20	0.32

▸	PLA2G1B	P04054	1/20	0.32

▸	ATG4B	Q9Y4P1	1/20	0.32

▸	CASP3	P42574	1/20	0.32

▸	CASP6	P55212	1/20	0.32

▸	CASP8	Q14790	1/20	0.32

▸	CTSC	P53634	1/20	0.32

▸	SLC1A1	P43005	1/20	0.32

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
SCHEMBL9848662	0.81	MME (0.39)	BACE1CTSDCASP3CASP6CASP8
SCHEMBL9848626	0.70	MME (0.39)	BACE1CTSD
SCHEMBL9848643	0.68	BACE1 (0.42)	BACE1CTSDCASP3
SCHEMBL24050017	0.68	BACE1 (0.59)	BACE1KMT2AALDH1A1CTSD
SCHEMBL24050019	0.68	BACE1 (0.59)	BACE1KMT2AALDH1A1CTSD
SCHEMBL9848660	0.66	OPRD1 (0.45)	BACE1CTSDCASP3
SCHEMBL5323913	0.66	CTSC (0.55)	CTSC
SCHEMBL1790982	0.63	KMT2A (0.59)	BACE1MEN1KMT2AALDH1A1
SCHEMBL4743536	0.63	KMT2A (0.59)	BACE1MEN1KMT2AALDH1A1
SCHEMBL13592564	0.63	KMT2A (0.59)	BACE1MEN1KMT2AALDH1A1

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