SCHEMBL21780165

SCHEMBL21780165

CCC(=O)OCC(CO)(COC(C)=O)COC(=O)CCS

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL17483585 0.85 NAAA (0.35) ALDH1A1HIF1A
SCHEMBL13734765 0.85 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10
SCHEMBL331657 0.85 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL13496531 0.83 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10
SCHEMBL7606318 0.82 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL538021 0.82 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL16882981 0.82 THRB (0.34) ALDH1A1HIF1A
SCHEMBL330799 0.81 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL330872 0.81 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL17083541 0.81 ALDH1A1 (0.48) 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
EP-3000854-B1 POLYMERIZABLE COMPOSITION, INK COMPOSITION FOR INK-JET RECORDING, METHOD OF INK-JET RECORDING, AND PRINTED ARTICLE FUJIFILM CORP (JP) 2020-03-04 EP disclosed