SCHEMBL13633608

SCHEMBL13633608

Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2ccc(/C=C/c3ccc(O)cc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.40
POLB P06746 4/20 0.38
KMT2A Q03164 4/20 0.38
ACHE P22303 3/20 0.38
THRB P10828 2/20 0.34
MAPT P10636 4/20 0.33
GAA P10253 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PKM P14618 2/20 0.32
RAB9A P51151 2/20 0.32
CYP3A4 P08684 1/20 0.32
HSPD1 P10809 1/20 0.32
NFKB1 P19838 1/20 0.32
HSPE1 P61604 1/20 0.32
NFKB2 Q00653 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
SCHEMBL4197112 1.00 TTR (0.40) TTRPOLBKMT2AACHETHRB
SCHEMBL13633604 0.94 TTR (0.40) TTRPOLBKMT2AACHETHRB
SCHEMBL4187766 0.94 TTR (0.40) TTRPOLBKMT2AACHETHRB
SCHEMBL4192297 0.89 GAA (0.37) TTRPOLBKMT2AACHEMAPT
Bromide SCHEMBL4190244 0.88 GAA (0.36) TTRPOLBKMT2AACHEMAPT
SCHEMBL4178439 0.87 MAPT (0.34) TTRPOLBKMT2AACHETHRB
SCHEMBL13633675 0.86 ACHE (0.33) POLBKMT2AACHEMAPTTP53
SCHEMBL12907529 0.85 TTR (0.38) TTRPOLBKMT2AACHEMAPT
Bromide SCHEMBL8908965 0.84 TTR (0.37) TTRPOLBKMT2AACHEMAPT
SCHEMBL4192623 0.83 ACHE (0.34) TTRPOLBKMT2AACHETHRB

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