SCHEMBL4066696

SCHEMBL4066696

CC(C)COC(=O)N1CCCC(CO)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
LIPE Q05469 1/20 0.45
EPHX2 P34913 4/20 0.42
NR1H4 Q96RI1 1/20 0.42
GRM3 Q14832 3/20 0.42
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DGAT2 Q96PD7 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4687962 0.91 RAB9A (0.46) RAB9ALIPENR1H4JAK2JAK1
SCHEMBL5262093 0.87 RAB9A (0.49) RAB9ALIPEDGAT2JAK2JAK1
SCHEMBL4687840 0.87 RAB9A (0.49) RAB9ALIPEDGAT2JAK2JAK1
SCHEMBL8550495 0.86 RAB9A (0.46) RAB9ALIPENR1H4NPC1DGAT2
Bromide SCHEMBL8554846 0.85 RAB9A (0.47) RAB9ANR1H4DGAT2JAK2JAK1
SCHEMBL5629746 0.84 EPHX2 (0.49) RAB9ALIPEEPHX2NR1H4GRM3
SCHEMBL1692721 0.84 RAB9A (0.43) RAB9APOLBJAK2JAK1MEN1
SCHEMBL8554848 0.82 RAB9A (0.45) RAB9ADGAT2JAK2JAK1MEN1
SCHEMBL8625146 0.82 RAB9A (0.45) RAB9ANPC1POLBSMN1; SMN2DGAT2
SCHEMBL24131317 0.82 RAB9A (0.52) RAB9ALIPEPOLBSMN1; SMN2DGAT2

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
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
WO-2008121685-A1 METHODS OF USE FOR INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
EP-1948188-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
WO-2008063853-A2 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-05-29 WO disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed