SCHEMBL4070665

SCHEMBL4070665

CC(C)(C)C(CCCO)NC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL9995723 0.94 MMP3 (0.39) MMP1MMP2MMP3MMP7PTGS1
SCHEMBL1132971 0.88 MEN1 (0.31) MEN1GAAKMT2ACA2MAPK1
SCHEMBL29029802 0.84 CA2 (0.50) MMP1MMP2MMP3MMP7CA2
SCHEMBL2400833 0.82 GSR (0.48)
SCHEMBL793739 0.82 CPB2 (0.46) MEN1KMT2ASLC6A3
SCHEMBL3647951 0.82 MEN1 (0.32) MEN1GAAKMT2ACA2MAPK1
SCHEMBL333214 0.82 MEN1 (0.32) MEN1GAAKMT2ACA2MAPK1
SCHEMBL559017 0.82 GRN (0.31) MEN1GAAKMT2A
SCHEMBL3659774 0.81 PRSS1 (0.35) MMP1MMP2MMP3MMP7MEN1
SCHEMBL3020262 0.81 MEN1 (0.45) PTGS1KCNH2MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062032-B2 Aminoalkyl-substituted N-thienylbenzamide derivative ASTELLAS PHARMA INC. (JP) 2015-06-23 US disclosed
US-8980322-B2 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
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
EP-1682123-A1 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2006-07-26 EP disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005046678-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2005-05-26 WO disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed