SCHEMBL11254397

SCHEMBL11254397

CCOC(=O)C(C(=O)OC(C)(C)C)C(=O)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
SCN5A Q14524 2/20 0.35
CYP1A2 P05177 1/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 1/20 0.35
DRD4 P21917 1/20 0.35
ACHE P22303 1/20 0.35
HRH2 P25021 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAPK1 P28482 1/20 0.35
NTSR1 P30989 1/20 0.35

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
SCHEMBL11254834 0.93 LMNA (0.39) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL11561241 0.90 LMNA (0.42) MAPTKDM4ENPSR1LMNASCN5A
SCHEMBL11254837 0.88 PLK1 (0.38) PDK1PDK2PDK3PDK4MAPT
SCHEMBL11257181 0.88 LMNA (0.37) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL10792511 0.86 MAPT (0.39) PDK1PDK2PDK3PDK4MAPT
SCHEMBL11299113 0.82 CNR1 (0.38) KDM4ELMNASCN5ACYP1A2MAOA
SCHEMBL11557233 0.81 LMNA (0.48) KDM4ELMNASCN5ACYP1A2MAOA
SCHEMBL11067295 0.81 MAPT (0.33) PDK1PDK2PDK3PDK4MAPT
SCHEMBL11067293 0.81 MAPT (0.33) PDK1PDK2PDK3PDK4MAPT
SCHEMBL11460599 0.79 MMP2 (0.38) MAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4318914-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-03-09 US disclosed
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US disclosed
US-4305959-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1981-12-15 US disclosed
US-4205085-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-05-27 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed