SCHEMBL8889985

SCHEMBL8889985

CCCC(C)(C)OOC(CCN1C(=O)C=CC1=O)(OC)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.40
FAAH O00519 4/20 0.40
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
BLM P54132 2/20 0.35
GMNN O75496 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
GSK3A P49840 4/20 0.35
GSK3B P49841 4/20 0.35
HSP90AA1 P07900 2/20 0.34
HPGD P15428 2/20 0.34
TLR9 Q9NR96 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
XBP1 P17861 1/20 0.34

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
SCHEMBL8888988 0.90 MGLL (0.38) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8888728 0.88 MGLL (0.47) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8888184 0.87 MGLL (0.39) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8888506 0.87 MGLL (0.36) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8888597 0.85 MGLL (0.40) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8889302 0.84 MGLL (0.39) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8888491 0.83 MGLL (0.43) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8886953 0.82
SCHEMBL8888912 0.80 MGLL (0.45) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL8889991 0.79 MGLL (0.35) MGLLFAAHPTGS1PTGS2ALDH1A1

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
WO-1997003961-A1 IMIDO PEROXIDES AS INITIATORS OF POLYMERIZATION PROCESSES AKZO NOBEL N.V. (NL) 1997-02-06 WO disclosed