SCHEMBL17327077

SCHEMBL17327077

CCCC(=O)OC[C@H]1OC(OC(=O)CCC)[C@H](O)[C@@H]1OC(=O)CCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.45
▸ TLR4 O00206 3/20 0.39
▸ CA12 O43570 6/20 0.39
▸ CA1 P00915 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ CA9 Q16790 6/20 0.39
▸ CA14 Q9ULX7 6/20 0.39
▸ LGALS8 O00214 3/20 0.39
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ PRKCH P24723 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCZ Q05513 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PRKD1 Q15139 1/20 0.36
▸ CYP2D6 P10635 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL19079629 0.88 MAPT (0.47) MAPTTLR4CA12CA1CA2
SCHEMBL20582014 0.87 MAPT (0.49) MAPTTLR4CA12CA1CA2
SCHEMBL3334421 0.87 MAPT (0.49) MAPTTLR4CA12CA1CA2
SCHEMBL3336043 0.87 MAPT (0.49) MAPTTLR4CA12CA1CA2
SCHEMBL13621251 0.87 MAPT (0.49) MAPTTLR4CA12CA1CA2
SCHEMBL16500346 0.87 MAPT (0.49) MAPTTLR4CA12CA1CA2
SCHEMBL16500298 0.87 MAPT (0.49) MAPTTLR4CA12CA1CA2
SCHEMBL23104821 0.85 TLR4 (0.46) MAPTTLR4CA12CA1CA2
SCHEMBL21137974 0.85 TLR4 (0.46) MAPTTLR4CA12CA1CA2
SCHEMBL22107783 0.83 MAPT (0.46) MAPTTLR4CA12CA1CA2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015186114-A1 NICOTINAMIDE RIBOSIDE ANALOGS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-12-10 — — WO disclosed
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