SCHEMBL6238772

SCHEMBL6238772

CCCCCCCCCCCCC1=C(C)C(=O)OC1=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 7/20 0.59
CDC25B P30305 7/20 0.59
CDC25C P30307 6/20 0.59
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TYMP P19971 2/20 0.40
ALOX5 P09917 4/20 0.39

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
SCHEMBL6238660 1.00 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL6237311 1.00 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL10908238 1.00 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL7197063 1.00 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL10663018 1.00 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL23581852 0.98 CDC25A (0.56) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL8944601 0.92 CDC25A (0.49) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL1165248 0.92 CDC25A (0.47) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL9188758 0.90 CDC25A (0.65) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL17122005 0.88 CDC25A (0.68) CDC25ACDC25BCDC25CALDH1A1MAPT

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-2005016260-A2 PRODRUGS FOR THE ORAL AND PARENTERAL DELIVERY OF AMINE-CONTAINING DRUGS, AMINO ACIDS, AND PEPTIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-02-24 WO disclosed