SCHEMBL19909640

SCHEMBL19909640

O=COCCCCCCCCCCOC(=O)CCc1ccc2c(c1)C(c1ccccc1)C(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
APP P05067 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.35
MGLL Q99685 2/20 0.33
P2RY10 O00398 1/20 0.33
FAAH O00519 1/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP6 P55212 1/20 0.32

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
SCHEMBL2612438 0.93 GAA (0.50) GAAAPPTDP1ALOX5MGLL
SCHEMBL824539 0.81 GAA (0.57) GAAAPPTDP1ALDH1A1
SCHEMBL15415622 0.78 GAA (0.36) GAAAPPTDP1MGLLALDH1A1
SCHEMBL16299167 0.74 GAA (0.49) GAAAPPTDP1ALOX5
SCHEMBL15430188 0.74 ALOX5 (0.40) GAAAPPTDP1ALOX5NAAA
SCHEMBL19909643 0.74 ALOX5 (0.36) GAAAPPTDP1ALOX5ALDH1A1
SCHEMBL10479277 0.72 GAA (0.59) GAATDP1ALDH1A1
SCHEMBL2612461 0.72 GAA (0.66) GAAALDH1A1
SCHEMBL10372823 0.71 GAA (0.62) GAAALDH1A1
SCHEMBL19894685 0.71 ALOX5 (0.37) GAAAPPTDP1ALOX5NAAA

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