SCHEMBL11244404

SCHEMBL11244404

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.44
F2 P00734 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
POLB P06746 1/20 0.40
S1PR3 Q99500 1/20 0.39
PTPN1 P18031 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PLOD2 O00469 1/20 0.37
PLK1 P53350 3/20 0.37
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL11251443 0.89 POLB (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11249024 0.86 PRSS1 (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL29384484 0.86 PRSS1 (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11258943 0.86 PRSS1 (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11260978 0.85 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11558494 0.82 S1PR3 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11561529 0.82 S1PR3 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11581284 0.82 S1PR3 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11503287 0.82 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11557576 0.82 S1PR3 (0.53) PRSS1F2PRSS2PRSS3TMPRSS6

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