SCHEMBL4596099

SCHEMBL4596099

CC(C)(C)OC(=O)CN1CCC[C@H]1[C@@H](O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL4596269 1.00 LMNA (0.44) LMNAALDH1A1RIPK1
SCHEMBL27995284 0.83 LMNA (0.40) LMNAALDH1A1
SCHEMBL5069168 0.82 LMNA (0.48) LMNAALDH1A1
SCHEMBL5069171 0.82 LMNA (0.48) LMNAALDH1A1
SCHEMBL4622794 0.82 LMNA (0.48) LMNAALDH1A1
SCHEMBL5067551 0.82 LMNA (0.48) LMNAALDH1A1
SCHEMBL28194949 0.79 KLK7 (0.45) LMNAALDH1A1RIPK1
SCHEMBL1843454 0.79 KLK7 (0.45) LMNAALDH1A1RIPK1
SCHEMBL29997863 0.79 KLK7 (0.45) LMNAALDH1A1RIPK1
SCHEMBL13997813 0.79 KLK7 (0.45) LMNAALDH1A1RIPK1

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
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed