SCHEMBL3389771

SCHEMBL3389771

CC(O)OC[C@H]1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3389065 0.94 LMNA (0.41) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL2700038 0.84 LMNA (0.44) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL26832966 0.84 LMNA (0.44) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL23977846 0.84 LMNA (0.44) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL19955432 0.82 LMNA (0.41) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL23805881 0.81 LMNA (0.42) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL11911869 0.81 LMNA (0.42) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL28242511 0.80 LMNA (0.40) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL11567681 0.79 LMNA (0.41) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL12448236 0.78 MEN1 (0.40) LMNAPOLBALDH1A1KMT2AMEN1

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