SCHEMBL13666237

SCHEMBL13666237

CC(=O)C/C=C(/C(C)=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.35
GLO1 Q04760 1/20 0.32
LMNA P02545 1/20 0.31
SLC15A2 Q16348 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10001245 0.87 GLO1 (0.36) GLO1ALDH1A1TDP1
SCHEMBL1977291 0.77 EP300 (0.41) EP300GLO1ALDH1A1TDP1
SCHEMBL4051405 0.74 ALDH1A1 (0.33) LMNASLC15A2ALDH1A1TDP1
SCHEMBL474840 0.74 TRPA1 (0.38) LMNASLC15A2ALDH1A1TDP1
SCHEMBL474842 0.74 TRPA1 (0.38) LMNASLC15A2ALDH1A1TDP1
SCHEMBL29160937 0.73 EP300 (0.54) EP300GLO1ALDH1A1
Acetone SCHEMBL5520081 0.72 TRPA1 (0.36) LMNASLC15A2ALDH1A1TDP1
SCHEMBL11381812 0.69
SCHEMBL11381810 0.69
SCHEMBL1785723 0.69

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-2009128789-A1 VESICLES FOR INTRACELLULAR DRUG DELIVERY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-10-22 WO disclosed