SCHEMBL13376342

SCHEMBL13376342

CC(=O)CC(=O)c1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
HPGD P15428 2/20 0.68
MAPT P10636 2/20 0.68
KDM4E B2RXH2 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PTPN1 P18031 1/20 0.47
HIF1A Q16665 3/20 0.46
CYP1A2 P05177 2/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
RAD52 P43351 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
GFER P55789 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL13376343 0.92 ALDH1A1 (0.56) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2774094 0.86 SMN1; SMN2 (0.72) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL8197165 0.83 ALDH1A1 (0.67) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL49935 0.81 ALDH1A1 (1.00) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL2696538 0.80 ALDH1A1 (0.54) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL11947426 0.80 ALDH1A1 (0.54) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL8011026 0.80 PTPN1 (0.74) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL10484140 0.80 ALDH1A1 (0.96) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL561093 0.79 ALDH1A1 (0.61) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL7821030 0.77 ALDH1A1 (0.58) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691647-B2 Compositions for use as a signal generation component and methods of using same SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-04-06 US disclosed
US-7691647-B2 Compositions for use as a signal generation component and methods of using same SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2010-04-06 US disclosed
US-20090325316-A1 Compositions for use as a Signal Generation Component and Methods of Using Same SIEMENS HEALTHCARE DIAGNOSTICS (US) 2009-12-31 US disclosed
US-20090325316-A1 Compositions for use as a Signal Generation Component and Methods of Using Same SIEMENS HEALTHCARE DIAGNOSTICS (US) 2009-12-31 US disclosed