SCHEMBL6537409

SCHEMBL6537409

O=C(O)OCCn1ccc(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
DUT P33316 12/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CRBN Q96SW2 1/20 0.45
NAAA Q02083 1/20 0.44

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
SCHEMBL13268717 0.86 DUT (0.49) L3MBTL1DUTALDH1A1LMNA
SCHEMBL11228302 0.83 L3MBTL1 (0.50) L3MBTL1DUTALDH1A1LMNACRBN
SCHEMBL31592762 0.77 L3MBTL1 (0.58) L3MBTL1DUTALDH1A1LMNACRBN
SCHEMBL2983407 0.77 ALDH1A1 (0.57) L3MBTL1DUTALDH1A1LMNACRBN
SCHEMBL13539349 0.77 DUT (0.63) DUTNAAA
SCHEMBL28776122 0.77 L3MBTL1 (0.54) L3MBTL1DUTALDH1A1LMNACRBN
SCHEMBL14862868 0.75 L3MBTL1 (0.73) L3MBTL1DUT
SCHEMBL14861415 0.74 L3MBTL1 (0.54) L3MBTL1DUTALDH1A1LMNACRBN
Formic Acid SCHEMBL29997761 0.74 L3MBTL1 (0.51) L3MBTL1DUTALDH1A1LMNACRBN
SCHEMBL22193321 0.74 L3MBTL1 (0.51) L3MBTL1DUTALDH1A1LMNACRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409510-A4 BIOLOGICAL PACEMAKER UNIV JOHNS HOPKINS (US) 2004-09-08 EP disclosed
EP-1409510-A2 BIOLOGICAL PACEMAKER The Johns Hopkins University (US) 2004-04-21 EP disclosed
WO-2002087419-A2 BIOLOGICAL PACEMAKER JOHNS HOPKINS UNIVERSITY (US) 2002-11-07 WO disclosed