SCHEMBL3389065

SCHEMBL3389065

CC(O)OC[C@H]1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACB O00763 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3389771 0.94 LMNA (0.46) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL12448236 0.85 MEN1 (0.40) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL8310563 0.79 KMT2A (0.40) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL23977846 0.79 LMNA (0.44) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL26832966 0.79 LMNA (0.44) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL2700038 0.79 LMNA (0.44) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL12595150 0.78 LMNA (0.41) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL12595149 0.78 LMNA (0.38) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL19955432 0.77 LMNA (0.41) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL1261540 0.76

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