SCHEMBL10001245

SCHEMBL10001245

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
CES1 P23141 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL13666237 0.87 EP300 (0.35) GLO1ALDH1A1TDP1
SCHEMBL1785723 0.75
SCHEMBL11720316 0.73 GLO1 (0.42) GLO1ALDH1A1TDP1TSHRTHPO
SCHEMBL23974341 0.72 LMNA (0.35) ALDH1A1TDP1TRPA1TSHRTHPO
SCHEMBL21266020 0.71
SCHEMBL9573120 0.71 GABRR1 (0.40) GLO1ALDH1A1TDP1TSHRTHPO
SCHEMBL11858973 0.71
SCHEMBL10817873 0.71
SCHEMBL10817871 0.71
SCHEMBL4051405 0.69 ALDH1A1 (0.33) ALDH1A1TDP1TRPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206893-B2 Photoimageable branched polymer BREWER SCIENCE INC. (US) 2012-06-26 US disclosed
US-20090111057-A1 PHOTOIMAGEABLE BRANCHED POLYMER BREWER SCIENCE INC. 2009-04-30 US disclosed