SCHEMBL22193920

CCOS(=O)(=Nc1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)Oc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	PTPN1	P18031	3/20	0.40

▸	ITGB3	P05106	1/20	0.40

▸	ITGA2B	P08514	1/20	0.40

▸	ACE	P12821	1/20	0.40

▸	ABCB1	P08183	1/20	0.39

▸	BCL2	P10415	1/20	0.39

▸	SLC5A2	P31639	7/20	0.39

▸	SLC5A1	P13866	6/20	0.39

▸	SLC28A3	Q9HAS3	2/20	0.38

▸	HDAC8	Q9BY41	1/20	0.36

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
SCHEMBL24120438	1.00	PTPN1 (0.40)	PTPN1ITGB3ITGA2BACEABCB1
SCHEMBL22193917	0.85	PTPN1 (0.39)	PTPN1ITGB3ITGA2BACEABCB1
SCHEMBL22193922	0.85	SLC5A2 (0.40)	ABCB1BCL2SLC5A2SLC5A1SLC28A3
SCHEMBL24120439	0.85	SLC5A2 (0.40)	ABCB1BCL2SLC5A2SLC5A1SLC28A3
SCHEMBL20635533	0.84	ITGB3 (0.45)	PTPN1ITGB3ITGA2BACEABCB1
SCHEMBL22193991	0.84	PTPN1 (0.38)	PTPN1ITGB3ITGA2BACEABCB1
SCHEMBL24120462	0.84	SLC5A2 (0.43)	ABCB1BCL2SLC5A2SLC5A1
SCHEMBL24109362	0.81	ACE (0.45)	PTPN1ITGB3ITGA2BACEABCB1
SCHEMBL26347434	0.81	ITGB3 (0.53)	PTPN1ITGB3ITGA2BACE
SCHEMBL24120444	0.80	P2RX7 (0.42)	SLC5A2SLC5A1

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-2020141460-A2	COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF	INTOCELL, INC. (KR)	2020-07-09	—	—	WO	disclosed