SCHEMBL7695698

SCHEMBL7695698

OC[C@H]1O[C@@H](OCC2CCCC2)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ ACHE P22303 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CA2 P00918 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TYR P14679 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LGALS8 O00214 1/20 0.42
▸ LGALS3 P17931 1/20 0.42
▸ LGALS4 P56470 1/20 0.42
▸ SLC5A1 P13866 1/20 0.41
▸ SLC5A2 P31639 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7687892 0.93 GAA (0.59) GAAACHECDK1CCNB1CA2
SCHEMBL14417713 0.89 LGALS3 (0.55) GAACA2LGALS8LGALS3LGALS4
SCHEMBL18685528 0.89 LGALS3 (0.55) GAACA2LGALS8LGALS3LGALS4
SCHEMBL18680144 0.89 LGALS3 (0.55) GAACA2LGALS8LGALS3LGALS4
SCHEMBL13764350 0.89 LGALS3 (0.55) GAACA2LGALS8LGALS3LGALS4
SCHEMBL15991626 0.89 LGALS3 (0.55) GAACA2LGALS8LGALS3LGALS4
SCHEMBL13917316 0.89 LGALS3 (0.55) GAACA2LGALS8LGALS3LGALS4
SCHEMBL13998385 0.89 LGALS3 (0.55) GAACA2LGALS8LGALS3LGALS4
SCHEMBL14190889 0.89 LGALS3 (0.55) GAACA2LGALS8LGALS3LGALS4
SCHEMBL7761262 0.87 GAA (0.48) GAAACHECDK1CCNB1CA2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6372894-B1 PLANT OR A PART THEREOF IN WHICH THE FORMATION OF AROMATIC SUBSTANCES IS INHIBITED BY AROMATIC SUBSTANCE FORMATION INHIBITOR; AS A PLANT LIFE LENGTHENING AGENT NIHON SHOKUHIN KAKO CO., LTD. (JP) 2002-04-16 — — US disclosed
US-6339146-B1 GLUCOSIDE, GLUCOSIDASE INHIBITORS AND PLANT LIFE LENGTHENING COMPOSITION CONSISTING ESSENTIALLY OF AT LEAST ONE COMPOUND AS AN ACTIVE INGREDIENT. NIKON SHOKUHIN KAKO CO., LTD. (JP) 2002-01-15 — — US disclosed
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