SCHEMBL17965604

C=C(C)C(=O)O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)C(=C)C)[C@H]1OC(=O)C(=C)C.C=C(C)C(=O)O[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	LGALS8	O00214	7/20	0.41

▸	LGALS3	P17931	4/20	0.37

▸	AMY2A	P04746	3/20	0.36

▸	FGF1	P05230	1/20	0.36

▸	LGALS4	P56470	2/20	0.36

▸	GAA	P10253	4/20	0.35

▸	MGAM	O43451	2/20	0.35

▸	AMY1A	P0DUB6	1/20	0.35

▸	SI	P14410	1/20	0.35

▸	CNR1	P21554	1/20	0.35

▸	PTGS1	P23219	1/20	0.35

▸	PDE4A	P27815	1/20	0.35

▸	PDE3A	Q14432	1/20	0.35

▸	MGAM2	Q2M2H8	1/20	0.35

▸	ALDH1A1	P00352	1/20	0.35

▸	GLA	P06280	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	LGALS9	O00182	1/20	0.34

▸	LGALS1	P09382	1/20	0.34

▸	LGALS7; LGALS7B	P47929	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
SCHEMBL21924095	0.98	LGALS8 (0.42)	LGALS8LGALS3AMY2ALGALS4GAA
SCHEMBL2489960	0.98	LGALS8 (0.42)	LGALS8LGALS3AMY2ALGALS4GAA
SCHEMBL2492337	0.96	LGALS8 (0.43)	LGALS8LGALS3FGF1LGALS4MAPK1
SCHEMBL8512684	0.92	LGALS8 (0.41)	LGALS8LGALS3FGF1LGALS4MAPK1
SCHEMBL21924090	0.91	LGALS8 (0.40)	LGALS8LGALS3AMY2AFGF1LGALS4
SCHEMBL21924118	0.91	LGALS8 (0.38)	LGALS8LGALS3AMY2ALGALS4GAA
SCHEMBL10865539	0.90	LGALS8 (0.48)	LGALS8LGALS3AMY2ALGALS4GAA
SCHEMBL2486794	0.89	LGALS8 (0.43)	LGALS8LGALS3FGF1LGALS4LGALS9
SCHEMBL15441203	0.88	LGALS8 (0.42)	LGALS8LGALS3FGF1LGALS4MAPK1
SCHEMBL15441204	0.85	LGALS8 (0.41)	LGALS8LGALS3FGF1LGALS4ALDH1A1

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
EP-2379635-B1	CELLULOSE BASED POLYMER MATERIAL	CARLSBERG AS (DK)	2016-08-10	—	—	EP	disclosed