SCHEMBL8848842

SCHEMBL8848842

CC(C)(COC(=O)CCC(=O)OCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
MAPT P10636 2/20 0.33
BLM P54132 1/20 0.33
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL8849127 0.92 DGKA (0.38) ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL8848823 0.84 DGKA (0.53) ALDH1A1MAPTTSHR
SCHEMBL7920970 0.81 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHRACHE
SCHEMBL11295074 0.76 GAA (0.50) ALDH1A1L3MBTL1MAPTBLMTSHR
SCHEMBL22500496 0.75 ADRA1A (0.41) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL1615758 0.75 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL11374230 0.75 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTTSHR
SCHEMBL891719 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1TSHRACHEMAPK1
SCHEMBL278364 0.75 TSHR (0.41) ALDH1A1L3MBTL1TSHR
SCHEMBL27597213 0.74 ALDH1A1 (0.39) ALDH1A1L3MBTL1ADRA2AADRA1AMAPT

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-0412606-B1 UV-stabilization of polymers using nitro compounds AKZO NOBEL NV (NL) 1997-01-15 EP disclosed
US-5122555-A Mixing with polyolefin and conventional stabilizer AKZO NV (NL) 1992-06-16 US disclosed
EP-0412606-A1 UV-stabilization of polymers using nitro compounds Akzo Nobel N.V. (NL) 1991-02-13 EP disclosed