SCHEMBL19909635

SCHEMBL19909635

CC(C)(CCOC(=O)CCc1cc2c(c(C(C)(C)C)c1)OC(=O)C2c1ccccc1)OCCC(C)(C)OCCOC(=O)CCc1cc2c(c(C(C)(C)C)c1)OC(=O)C2c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
GAA P10253 2/20 0.34
APP P05067 1/20 0.32
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL19909634 0.94 ALOX5 (0.33) ALOX5TDP1GAA
SCHEMBL15430381 0.89 TDP1 (0.40) ALOX5TDP1GAAAPPALDH1A1
SCHEMBL15430188 0.88 ALOX5 (0.40) ALOX5TDP1GAAAPP
SCHEMBL19894685 0.84 ALOX5 (0.37) ALOX5TDP1GAAAPP
SCHEMBL19909643 0.83 ALOX5 (0.36) ALOX5TDP1GAAAPPALDH1A1
SCHEMBL6075102 0.83 GAA (0.39) GAAALDH1A1KMT2AMAOAMAOB
SCHEMBL19909665 0.81
SCHEMBL15430205 0.80 GAA (0.35) ALOX5TDP1GAAALDH1A1KMT2A
SCHEMBL19909641 0.79
SCHEMBL19320501 0.77 P2RY10 (0.36) GAAALDH1A1KMT2A

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