SCHEMBL6521892

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

nearest known ligand 0.54

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	16/20	0.54

▸	CTSD	P07339	4/20	0.54

▸	PDCD1LG2	Q9BQ51	1/20	0.52

▸	CD274	Q9NZQ7	1/20	0.52

▸	BACE2	Q9Y5Z0	1/20	0.47

▸	DPP4	P27487	1/20	0.45

▸	DPP8	Q6V1X1	1/20	0.45

▸	DPP9	Q86TI2	1/20	0.45

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
SCHEMBL30562167	0.93	DPP4 (0.51)	BACE1CTSDPDCD1LG2CD274BACE2
SCHEMBL6524335	0.92	PDCD1LG2 (0.51)	BACE1CTSDPDCD1LG2CD274
SCHEMBL29618914	0.91	PDCD1LG2 (0.52)	BACE1CTSDPDCD1LG2CD274DPP4
SCHEMBL29733454	0.91	BACE1 (0.49)	BACE1CTSDPDCD1LG2CD274BACE2
SCHEMBL30924861	0.91	DPP4 (0.52)	BACE1CTSDPDCD1LG2CD274BACE2
SCHEMBL30361178	0.91	DPP4 (0.52)	BACE1CTSDPDCD1LG2CD274BACE2
SCHEMBL6514106	0.91	BACE1 (0.49)	BACE1CTSDBACE2DPP4DPP8
SCHEMBL31423329	0.89	ENPEP (0.46)	BACE1CTSDPDCD1LG2CD274BACE2
SCHEMBL31249620	0.87	DPP4 (0.51)	BACE1CTSDPDCD1LG2CD274DPP4
SCHEMBL30390119	0.87	CD274 (0.55)	BACE1CTSDPDCD1LG2CD274

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-20050037343-A1	Three dimensional format biochips	BIOCEPT, INC.	2005-02-17	—	—	US	disclosed