SCHEMBL11247840

SCHEMBL11247840

CCOC(=O)CC(=O)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.42
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
SCN5A Q14524 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40
NTSR1 P30989 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40

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
SCHEMBL11561631 0.87 S1PR3 (0.49) POLBTSHRRAB9ALMNASCN5A
SCHEMBL11557503 0.87 S1PR3 (0.49) POLBTSHRRAB9ALMNASCN5A
SCHEMBL11563305 0.87 S1PR3 (0.49) POLBTSHRRAB9ALMNASCN5A
SCHEMBL11563317 0.87 S1PR3 (0.49) POLBTSHRRAB9ALMNASCN5A
SCHEMBL11558047 0.87 S1PR3 (0.49) POLBTSHRRAB9ALMNASCN5A
SCHEMBL11254051 0.86 PDK1 (0.52) TSHRRAB9ALMNASCN5ANPC1
SCHEMBL11247809 0.85 NPC1 (0.58) POLBRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL11244265 0.84 MAPT (0.53) POLBTSHRLMNASMN1; SMN2KDM4E
SCHEMBL11503324 0.83 LMNA (0.50) POLBTSHRRAB9ALMNASCN5A
SCHEMBL10789531 0.82 TSHR (0.42) POLBTSHRRAB9ALMNASCN5A

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