SCHEMBL168876

COC(=O)c1cn([C@H]2[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H](S[C@@H]3CCC[C@H](n4cc(C(=O)OC)nn4)[C@H]3OC(C)=O)[C@@H]2OC(C)=O)nn1

nearest known ligand 0.46

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	LGALS3	P17931	6/20	0.46

▸	LGALS1	P09382	2/20	0.46

▸	LGALS9	O00182	2/20	0.38

▸	LGALS8	O00214	2/20	0.38

▸	LGALS7; LGALS7B	P47929	2/20	0.38

▸	CA1	P00915	12/20	0.38

▸	CA2	P00918	12/20	0.38

▸	CA9	Q16790	12/20	0.38

▸	CA12	O43570	10/20	0.38

▸	CA14	Q9ULX7	6/20	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
SCHEMBL3284460	0.89	LGALS9 (0.46)	LGALS3LGALS9LGALS8LGALS7; LGALS7BCA1
SCHEMBL3284465	0.89	LGALS9 (0.46)	LGALS3LGALS9LGALS8LGALS7; LGALS7BCA1
SCHEMBL9950117	0.85	LGALS3 (0.63)	LGALS3LGALS1LGALS9LGALS8LGALS7; LGALS7B
SCHEMBL3277675	0.84	CA1 (0.41)	LGALS3LGALS9LGALS8LGALS7; LGALS7BCA1
SCHEMBL13385523	0.84	CA1 (0.41)	LGALS3LGALS9LGALS8LGALS7; LGALS7BCA1
SCHEMBL9949556	0.83	LGALS3 (0.56)	LGALS3LGALS1CA1CA2CA9
SCHEMBL23319209	0.83	CA1 (0.46)	CA1CA2CA9CA12CA14
SCHEMBL13076209	0.83	LGALS3 (0.47)	LGALS3LGALS9CA1CA2CA9
SCHEMBL19597952	0.83	LGALS3 (0.47)	LGALS3LGALS9CA1CA2CA9
SCHEMBL19580097	0.83	LGALS3 (0.47)	LGALS3LGALS9CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2424873-A1	NOVEL GALACTOSIDE INHIBITORS OF GALECTINS	Forskarpatent I SYD AB (SE)	2012-03-07	—	—	EP	disclosed
WO-2010126435-A1	NOVEL GALACTOSIDE INHIBITORS OF GALECTINS	FORSKARPATENT I SYD AB (SE)	2010-11-04	—	—	WO	disclosed