SCHEMBL4408918

SCHEMBL4408918

C=CC(=O)OC(C)(CC)CCOC(C)(CC)C(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL10188453 0.85 TDP1 (0.33) CDC25ACDC25BHSD17B10TDP1ALDH1A1
SCHEMBL14199441 0.82 ALDH1A1 (0.34) CDC25ACDC25BHSD17B10TDP1ALDH1A1
SCHEMBL14199596 0.82 ALDH1A1 (0.34) CDC25ACDC25BHSD17B10TDP1ALDH1A1
SCHEMBL13660245 0.79 ALDH1A1 (0.31) ALDH1A1POLB
SCHEMBL14153054 0.79 CDC25A (0.30) CDC25ACDC25BHSD17B10
SCHEMBL14153026 0.78 CYP1A2 (0.32)
SCHEMBL14421902 0.77 TDP1 (0.33) CDC25ACDC25BHSD17B10TDP1POLB
SCHEMBL15382580 0.77 ESR1 (0.32)
SCHEMBL15382571 0.77 MAPK1 (0.43) CDC25ACDC25BHSD17B10TDP1ALDH1A1
SCHEMBL14153076 0.77 PKM (0.37) ALDH1A1

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
EP-2503393-A1 Method for preparation of lithographic printing plate Fujifilm Corporation (JP) 2012-09-26 EP disclosed
EP-2447780-A1 Method for preparation of lithographic printing plate Fujifilm Corporation (JP) 2012-05-02 EP disclosed