SCHEMBL23802494

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

nearest known ligand 0.39

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	DPP4	P27487	1/20	0.39

▸	DPP8	Q6V1X1	1/20	0.39

▸	DPP9	Q86TI2	1/20	0.39

▸	GLO1	Q04760	1/20	0.36

▸	BACE1	P56817	12/20	0.35

▸	CTSD	P07339	2/20	0.35

▸	BACE2	Q9Y5Z0	2/20	0.34

▸	BMP1	P13497	1/20	0.33

▸	SIRT5	Q9NXA8	1/20	0.33

▸	NOD1	Q9Y239	1/20	0.33

▸	PTGS1	P23219	1/20	0.33

▸	GSTK1	Q9Y2Q3	1/20	0.33

▸	FOLH1	Q04609	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
SCHEMBL22546322	0.89	DPP4 (0.37)	DPP4DPP8DPP9GLO1BACE1
SCHEMBL18897776	0.88	BMP1 (0.36)	GLO1BMP1SIRT5
SCHEMBL17813102	0.86	DPP4 (0.34)	DPP4DPP8DPP9GLO1BACE1
SCHEMBL18136298	0.86	DPP4 (0.34)	DPP4DPP8DPP9GLO1BACE1
SCHEMBL18214552	0.85	DPP4 (0.37)	DPP4DPP8DPP9GLO1BACE1
SCHEMBL18214518	0.85	FOLH1 (0.35)	DPP4DPP8DPP9GLO1BACE1
SCHEMBL18214538	0.83	NOD1 (0.38)	SIRT5NOD1
SCHEMBL18214555	0.82	BACE1 (0.34)	DPP4DPP8DPP9GLO1BACE1
SCHEMBL19202618	0.81	PTGS1 (0.41)	DPP4DPP8DPP9GLO1BACE1
SCHEMBL18214550	0.81	BACE1 (0.33)	DPP4DPP8DPP9GLO1BACE1

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
WO-2021178887-A1	METHODS, COMPOUNDS, AND COMPOSITIONS FOR MODIFYING CAR-T CELL ACTIVITY	PURDUE RESEARCH FOUNDATION (US)	2021-09-10	—	—	WO	disclosed