SCHEMBL11258162

SCHEMBL11258162

CC(F)(F)CCCCCCCCCCCCCCNc1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.45
F2 P00734 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
TMPRSS6 Q8IU80 2/20 0.45
ST14 Q9Y5Y6 2/20 0.45
PLK1 P53350 3/20 0.43
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
POLB P06746 1/20 0.41
HCAR3 P49019 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
S1PR3 Q99500 1/20 0.39

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
SCHEMBL11070951 0.89 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11560139 0.89 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11258943 0.88 PRSS1 (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL29384484 0.88 PRSS1 (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11249024 0.88 PRSS1 (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11260978 0.86 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11255138 0.85 PRSS1 (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11241832 0.85 PRSS1 (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11247397 0.82 PRSS1 (0.43) PRSS1F2PRSS2PRSS3TMPRSS6
Cetaben SCHEMBL2112078 0.81 HCAR3 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US claimed