SCHEMBL28099296

SCHEMBL28099296

CCC(CO)(CO)CO.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
CCR6 P51684 1/20 0.48

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
Acetic Acid SCHEMBL28463914 0.92 GSK3A (0.41) GSK3AGSK3BCCR6
SCHEMBL1402174 0.86 GSK3A (0.58) GSK3AGSK3BCCR6
SCHEMBL28132939 0.86 GSK3A (0.58) GSK3AGSK3BCCR6
Acrylic Acid SCHEMBL28463230 0.83 GSK3A (0.33) GSK3AGSK3BCCR6
Alcohol SCHEMBL4116686 0.81 GSK3A (0.65) GSK3AGSK3BCCR6
Acetic Acid SCHEMBL28472906 0.81 GSK3A (0.46) GSK3AGSK3BCCR6
Acetic Acid SCHEMBL28462827 0.81 GSK3A (0.46) GSK3AGSK3BCCR6
Acetic Acid SCHEMBL28899322 0.81 GSK3A (0.46) GSK3AGSK3BCCR6
Propane SCHEMBL28392088 0.75 GSK3A (0.73) GSK3AGSK3BCCR6
Propane SCHEMBL28032534 0.75 GSK3A (0.73) GSK3AGSK3BCCR6

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
CN-106103517-A Fluorine system surfactant, coating composition, protective agent compositions and solidfied material DIC株式会社 2016-11-09 CN disclosed