SCHEMBL10177589

O=C(CCOCC(COCCC(=O)NCCOCCOCCO[C@H]1OC(COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)(COCCC(=O)NCCOCCOCCO[C@H]1OC(COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)CC(=O)OCc1ccccc1)NCCOCCOCCO[C@H]1OC(COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	USP2	O75604	2/20	0.37

▸	MEN1	O00255	1/20	0.37

▸	POLB	P06746	1/20	0.37

▸	KMT2A	Q03164	1/20	0.37

▸	NT5E	P21589	1/20	0.37

▸	PTPN1	P18031	3/20	0.37

▸	F11	P03951	2/20	0.34

▸	TMPRSS2	O15393	1/20	0.34

▸	PDE5A	O76074	1/20	0.34

▸	CA1	P00915	1/20	0.34

▸	CA2	P00918	1/20	0.34

▸	HMGCR	P04035	1/20	0.34

▸	CYP1A2	P05177	1/20	0.34

▸	LCK	P06239	1/20	0.34

▸	FYN	P06241	1/20	0.34

▸	HSPD1	P10809	1/20	0.34

▸	CYP2C9	P11712	1/20	0.34

▸	CA6	P23280	1/20	0.34

▸	TBXAS1	P24557	1/20	0.34

▸	MAPK3	P27361	1/20	0.34

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
SCHEMBL16682389	0.88	LMNA (0.38)	USP2MEN1POLBKMT2ANT5E
SCHEMBL21101278	0.88	LMNA (0.38)	USP2MEN1POLBKMT2ANT5E
SCHEMBL16384528	0.88	USP2 (0.46)	USP2MEN1POLBKMT2APTPN1
SCHEMBL9604566	0.88	SMN1; SMN2 (0.35)	MEN1KMT2ANT5ELMNASMN1; SMN2
SCHEMBL24961348	0.86	USP2 (0.41)	USP2MEN1POLBKMT2APTPN1
SCHEMBL16357786	0.86	USP2 (0.41)	USP2MEN1POLBKMT2ANT5E
SCHEMBL22448295	0.86	USP2 (0.41)	USP2MEN1POLBKMT2ANT5E
SCHEMBL10177590	0.86	USP2 (0.41)	USP2MEN1POLBKMT2ANT5E
SCHEMBL16299431	0.86	USP2 (0.41)	USP2MEN1POLBKMT2APTPN1
SCHEMBL16299430	0.86	USP2 (0.41)	USP2MEN1POLBKMT2ANT5E

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-8106022-B2	Carbohydrate conjugates as delivery agents for oligonucleotides	ALNYLAM PHARMACEUTICALS, INC. (US)	2012-01-31	—	—	US	disclosed