SCHEMBL22317580

CC(=O)CCCCCCCCCCC(=O)NC(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(C)=O)(COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1OC(CO)[C@@H](O)C(O)C1NC(C)=O)COCCC(=O)NCCCNC(=O)CCCCO[C@@H]1OC(CO)[C@H](O)C(O)C1NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	MAPK1	P28482	1/20	0.55

▸	LGALS3	P17931	2/20	0.47

▸	LGALS8	O00214	1/20	0.47

▸	LGALS4	P56470	1/20	0.47

▸	MDK	P21741	2/20	0.42

▸	B4GALT1	P15291	1/20	0.40

▸	MEN1	O00255	1/20	0.40

▸	KMT2A	Q03164	1/20	0.40

▸	ALDH1A1	P00352	1/20	0.39

▸	THRB	P10828	1/20	0.39

▸	CA1	P00915	1/20	0.36

▸	CA2	P00918	1/20	0.36

▸	CA9	Q16790	1/20	0.36

▸	CD69	Q07108	1/20	0.35

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
SCHEMBL21257124	1.00	MAPK1 (0.55)	MAPK1LGALS3LGALS8LGALS4MDK
SCHEMBL18736059	1.00	MAPK1 (0.55)	MAPK1LGALS3LGALS8LGALS4MDK
SCHEMBL26933495	1.00	MAPK1 (0.55)	MAPK1LGALS3LGALS8LGALS4MDK
SCHEMBL22021752	0.98	MAPK1 (0.53)	MAPK1LGALS3LGALS8LGALS4MDK
SCHEMBL20904109	0.97	MAPK1 (0.54)	MAPK1LGALS3LGALS8LGALS4MDK
SCHEMBL24420970	0.96	MAPK1 (0.51)	MAPK1LGALS3LGALS8LGALS4MDK
SCHEMBL24052100	0.96	MAPK1 (0.51)	MAPK1LGALS3LGALS8LGALS4MDK
SCHEMBL23240693	0.96	MAPK1 (0.51)	MAPK1LGALS3LGALS8LGALS4MDK
SCHEMBL18736063	0.96	MAPK1 (0.51)	MAPK1LGALS3LGALS8LGALS4MDK
SCHEMBL27059366	0.96	MAPK1 (0.51)	MAPK1LGALS3LGALS8LGALS4MDK

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-2020160336-A1	OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF	WAVE LIFE SCIENCES LTD. (SG)	2020-08-06	—	—	WO	disclosed