SCHEMBL3383772

SCHEMBL3383772

CC(O)OCC1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.34
ACACB O00763 1/20 0.34
SLC1A3 P43003 4/20 0.32
SLC1A2 P43004 4/20 0.32
SLC1A1 P43005 4/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
GBA1 P04062 1/20 0.31

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
SCHEMBL3387724 0.88 AOC3 (0.34) ACACBIRAK4
SCHEMBL10958265 0.84
SCHEMBL8069332 0.84 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL12448205 0.83 PIK3CD (0.36) PIK3CDACACBIRAK4
SCHEMBL11252547 0.80
SCHEMBL10075595 0.80 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1
SCHEMBL24914248 0.79 PIK3CD (0.34) PIK3CDACACB
SCHEMBL21743295 0.79 PIK3CD (0.34) PIK3CDACACB
SCHEMBL10068895 0.78 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1
SCHEMBL3385920 0.77 SLC1A3 (0.30) SLC1A3SLC1A2SLC1A1

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-2010018132-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO disclosed