SCHEMBL7971749

SCHEMBL7971749

O=C(O)CN(CC1CCCCC1)C(=O)C(=O)C1CNc2cc(OC(F)(F)F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SLC5A1 P13866 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
FFAR4 Q5NUL3 4/20 0.32
DAGLB Q8NCG7 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
EPHX1 P07099 2/20 0.32
EPHX2 P34913 1/20 0.32
SLC6A9 P48067 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
SCHEMBL7989308 0.89 SLC5A1 (0.34) KDM4EALDH1A1POLBSLC5A1TDP1
SCHEMBL7980536 0.85 PTGDR2 (0.35) POLBPTGDR2SLC6A9
SCHEMBL7986076 0.80 HDAC1 (0.36) ALDH1A1PTGDR2EPHX1EPHX2KCNH2
SCHEMBL7947164 0.80 PLA2G2A (0.37) ALDH1A1POLBL3MBTL1PTGDR2EPHX2
SCHEMBL7982206 0.79 POLB (0.36) ALDH1A1POLBEPHX2
SCHEMBL7938360 0.79 POLB (0.36) ALDH1A1POLBL3MBTL1PTGDR2EPHX2
SCHEMBL7948016 0.78 POLB (0.38) KDM4EALDH1A1POLBL3MBTL1EPHX2
SCHEMBL7945107 0.78 POLB (0.36) ALDH1A1POLBL3MBTL1PTGDR2EPHX2
SCHEMBL7946077 0.78 POLB (0.35) ALDH1A1POLBL3MBTL1PTGDR2EPHX2
SCHEMBL7946743 0.77 MITF (0.45) KDM4EALDH1A1POLBL3MBTL1EPHX2

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
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed