SCHEMBL4304737

SCHEMBL4304737

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 4/20 0.53
RECQL P46063 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
POLM Q9NP87 2/20 0.51
POLK Q9UBT6 2/20 0.51
POLL Q9UGP5 2/20 0.51
POLH Q9Y253 2/20 0.51
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CTSL P07711 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL3663773 1.00 GAA (0.60) GAAHPGDKMT2ARECQLKDM4E
SCHEMBL2535107 1.00 GAA (0.60) GAAHPGDKMT2ARECQLKDM4E
SCHEMBL475206 1.00 GAA (0.60) GAAHPGDKMT2ARECQLKDM4E
SCHEMBL31312898 1.00 GAA (0.60) GAAHPGDKMT2ARECQLKDM4E
SCHEMBL11622337 1.00 GAA (0.60) GAAHPGDKMT2ARECQLKDM4E
SCHEMBL991982 1.00 GAA (0.60) GAAHPGDKMT2ARECQLKDM4E
SCHEMBL1918538 1.00 GAA (0.60) GAAHPGDKMT2ARECQLKDM4E
SCHEMBL4609129 1.00 GAA (0.60) GAAHPGDKMT2ARECQLKDM4E
SCHEMBL2538773 0.99 GAA (0.58) GAAHPGDKMT2ARECQLKDM4E
Octanoic Acid SCHEMBL30504818 0.95 GAA (0.55) GAAHPGDKMT2ARECQLKDM4E

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
WO-2008047249-A9 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-23 WO disclosed
EP-2099813-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Centre National de la Recherche Scientifique (FR) 2009-09-16 EP disclosed
WO-2008047249-A2 ALPHA-GALACTOCERAMIDE ANALOGS, THEIR METHODS OF MANUFACTURE, INTERMEDIATE COMPOUNDS USEFUL IN THESE METHODS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-04-24 WO disclosed