SCHEMBL19909643

SCHEMBL19909643

CC(C)(C)c1cc(CCC(=O)OCCOCCOCCOC=O)cc2c1OC(=O)C2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.33
APP P05067 1/20 0.32
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL15430381 0.94 TDP1 (0.40) ALOX5TDP1GAAAPPALDH1A1
SCHEMBL19909634 0.90 ALOX5 (0.33) ALOX5TDP1GAA
SCHEMBL15430188 0.87 ALOX5 (0.40) ALOX5TDP1GAAAPP
SCHEMBL15430205 0.85 GAA (0.35) ALOX5TDP1GAAALDH1A1KDM4E
SCHEMBL19909635 0.83 ALOX5 (0.37) ALOX5TDP1GAAAPPALDH1A1
SCHEMBL19894685 0.83 ALOX5 (0.37) ALOX5TDP1GAAAPP
SCHEMBL6075102 0.82 GAA (0.39) GAAALDH1A1KDM4EHTT
SCHEMBL16883688 0.80 GAA (0.33) ALOX5TDP1GAAAPPHTT
SCHEMBL19909616 0.79
SCHEMBL17714669 0.76 GAA (0.32) ALOX5GAAHTT

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
EP-2872496-B1 POLYGLYCOL BIS-[3-(7-TERT-BUTYL-2-OXO-3-PHENYL-3H-BENZOFURAN-5-YL-)PROPANOYL]DERIVATIVES AS STABILIZERS OF ORGANIC MATERIAL BASF SE (DE) 2018-02-28 EP disclosed