SCHEMBL4659586

SCHEMBL4659586

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
APAF1 O14727 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
ACE P12821 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
CCKBR P32239 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL3958818 0.79 KDM4E (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8892454 0.79 KDM4E (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8892465 0.79 KDM4E (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8893763 0.78 SIRT2 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7499509 0.78 MAPT (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8893777 0.78 SIRT2 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13919659 0.78 MEN1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1273122 0.76 CYP3A4 (0.49) NPC1RAB9AMAPTPOLBRECQL
SCHEMBL13963971 0.76 KMT2A (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9293379 0.74 MEN1 (0.56) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 WO disclosed