SCHEMBL3958818

SCHEMBL3958818

CC(C)(C)[C@](CO)(Cc1c[nH]c2ccccc12)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
CYP2D6 P10635 1/20 0.47
ACE P12821 1/20 0.46
PKM P14618 2/20 0.46
CCKBR P32239 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL8892454 0.85 KDM4E (0.49) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL8892465 0.85 KDM4E (0.49) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL7499509 0.79 MAPT (0.46) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL4659586 0.79 MEN1 (0.46) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL9293379 0.78 MEN1 (0.56) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL1273081 0.75 CYP3A4 (0.46) MAPTRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL4659729 0.75 CYP2A6 (0.48) POLBSMN1; SMN2ALDH1A1CYP2D6PKM
SCHEMBL6306358 0.75 CCKBR (0.51) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL9338291 0.74 CCKBR (0.44) KDM4EMAPTAPAF1POLBRECQL
SCHEMBL8829876 0.74 CCKBR (0.68) MAPTMEN1KMT2AALDH1A1PKM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032653-A1 INHIBITORS OF AKT ACTIVITY SMITH KLINE BEECHAM CORPORATION (US) 2009-03-12 WO disclosed
WO-2009032651-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 WO disclosed
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed