SCHEMBL13638337

SCHEMBL13638337

Cc1cc(C(=O)OC(=O)c2ccccc2)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccc(O)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
GAA P10253 7/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 4/20 0.35
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
KMT2A Q03164 6/20 0.34
PKM P14618 3/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 4/20 0.34
HPGD P15428 3/20 0.34
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4192297 0.90 GAA (0.37) MAPTGAALMNAPOLBKDM4E
Bromide SCHEMBL4190244 0.89 GAA (0.36) MAPTGAALMNAPOLBKDM4E
SCHEMBL13979971 0.87 LMNA (0.43) MAPTGAALMNAPOLBKDM4E
SCHEMBL4194167 0.83 KDM4E (0.32) MAPTGAALMNAPOLBKDM4E
SCHEMBL4178439 0.82 MAPT (0.34) MAPTGAALMNAPOLBKDM4E
SCHEMBL12907529 0.82 TTR (0.38) MAPTGAALMNAPOLBKDM4E
Bromide SCHEMBL8908965 0.81 TTR (0.37) MAPTGAALMNAPOLBKDM4E
SCHEMBL17898189 0.81 PPARA (0.45) MAPTGAALMNAKDM4EHSD17B10
SCHEMBL13638336 0.81 KMT2A (0.39) MAPTGAALMNAPOLBKDM4E
Trifluoroacetic Acid SCHEMBL4803136 0.81 LMNA (0.37) MAPTGAALMNAKDM4EHSD17B10

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-7611909-B1 Acridinium compound for use in the concurrent detection of target analytes in immunoassays or nucleic acid assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2009-11-03 US disclosed