SCHEMBL3485244

SCHEMBL3485244

OCC(CO)(CO)CO.OCC(CO)(CO)CO.OCC(CO)(CO)COO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TSHR P16473 2/20 0.35

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
SCHEMBL1684019 0.97 ALDH1A1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3485246 0.88 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3451552 0.85 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Acrylic Acid SCHEMBL9630411 0.81 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Acrylic Acid SCHEMBL9862852 0.81 ALDH1A1 (0.50) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL24470037 0.79 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8663211 0.76 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1321753 0.76 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8053897 0.76 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL2508249 0.73 ALDH1A1 (0.54) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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-20100252185-A1 REMOVABLE PRESSURE SENSITIVE ADHESIVE SHEET AND METHOD FOR PROCESSING ADHEREND USING THE SAME NITTO DENKO CORPORATION (JP) 2010-10-07 US disclosed