SCHEMBL13633604

SCHEMBL13633604

Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(/C=C/c3ccc(O)cc3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.40
KMT2A Q03164 4/20 0.35
POLB P06746 3/20 0.35
ACHE P22303 2/20 0.35
THRB P10828 2/20 0.34
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
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
RELA Q04206 1/20 0.32
ESR1 P03372 3/20 0.32
CYP2C19 P33261 1/20 0.32
EYA3 Q99504 1/20 0.32
PTPN1 P18031 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
SCHEMBL4187766 1.00 TTR (0.40) TTRKMT2APOLBACHETHRB
SCHEMBL13633608 0.94 TTR (0.40) TTRKMT2APOLBACHETHRB
SCHEMBL4197112 0.94 TTR (0.40) TTRKMT2APOLBACHETHRB
SCHEMBL4192623 0.87 ACHE (0.34) TTRKMT2APOLBACHETHRB
SCHEMBL4187500 0.86 POLB (0.31) KMT2APOLBACHEMAPTTP53
SCHEMBL12907529 0.85 TTR (0.38) TTRKMT2APOLBACHEMAPT
SCHEMBL13633605 0.85 POLB (0.31) KMT2APOLBACHE
SCHEMBL4192297 0.85 GAA (0.37) TTRKMT2APOLBACHEMAPT
Bromide SCHEMBL8908965 0.84 TTR (0.37) TTRKMT2APOLBACHEMAPT
Bromide SCHEMBL4190244 0.84 GAA (0.36) TTRKMT2APOLBACHEMAPT

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 2 patents. 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
EP-1104405-B1 NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF SIEMENS HEALTHCARE DIAGNOSTICS (US) 2009-02-18 EP disclosed