SCHEMBL8889904

SCHEMBL8889904

CCCC/C(=C\C(=O)O)C(=O)OOOC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL8889911 1.00 APEX1 (0.31) APEX1CES2CES1
SCHEMBL9244452 0.94 PPARG (0.37) APEX1
SCHEMBL8889897 0.88 ALDH1A1 (0.31) CES2CES1
SCHEMBL4732254 0.84 KDM4E (0.31)
SCHEMBL17364123 0.84 KDM4E (0.31)
SCHEMBL9240644 0.83 PPARG (0.35) APEX1
SCHEMBL9241981 0.81 LMNA (0.35) APEX1
SCHEMBL4732188 0.80 TSHR (0.35)
SCHEMBL555291 0.75 APEX1 (0.39) APEX1CES2CES1
SCHEMBL1581723 0.75 CES1 (0.38) APEX1CES2CES1

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-1997003962-A1 IMIDO PERESTERS AS INITIATORS OF POLYMERIZATION PROCESSES AKZO NOBEL N.V. (NL) 1997-02-06 WO disclosed