SCHEMBL14199441

SCHEMBL14199441

C=CC(=O)OC(C)CCO[C@@](C)(CC)C(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL14199596 1.00 ALDH1A1 (0.34) ALDH1A1CDC25ACDC25BHSD17B10TDP1
SCHEMBL14153054 0.89 CDC25A (0.30) CDC25ACDC25BHSD17B10
SCHEMBL15382571 0.83 MAPK1 (0.43) ALDH1A1CDC25ACDC25BHSD17B10TDP1
SCHEMBL4408918 0.82 CDC25A (0.32) ALDH1A1CDC25ACDC25BHSD17B10TDP1
SCHEMBL13660244 0.81 ALDH1A1 (0.38) ALDH1A1CDC25ACDC25BHSD17B10TDP1
SCHEMBL11918227 0.80
SCHEMBL11918214 0.76 TP53 (0.41) ALDH1A1CDC25ACDC25BHSD17B10
SCHEMBL11918260 0.75 CDC25A (0.42) ALDH1A1CDC25ACDC25BHSD17B10TDP1
SCHEMBL10188453 0.72 TDP1 (0.33) ALDH1A1CDC25ACDC25BHSD17B10TDP1
SCHEMBL13069693 0.71 THRB (0.36) ALDH1A1HSD17B10

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
EP-1577086-B1 Lithographic printing process FUJIFILM CORP (JP) 2008-05-07 EP disclosed