SCHEMBL7197063

SCHEMBL7197063

CCCCCCCCCCCCCCCCCC1=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
SCHEMBL6238772 1.00 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL6237311 1.00 CDC25A (0.59) CDC25ACDC25BCDC25CALDH1A1MAPT
SCHEMBL10908238 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
US-6590071-B1 Increasing the delivery of hydrophilic amine containing compounds to the cell having a mucosal barrier, in which a compound of given formula penetrates the mucosal barrier of the cell; free amine is liberated by hydrolysis UNIVERSITY OF SOUTHERN CALIFORNIA 2003-07-08 US disclosed