SCHEMBL16248473

SCHEMBL16248473

CCC(CO)(CO)COC(=O)CC(C)CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
BHMT Q93088 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL7899458 0.83 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL16248472 0.82 GABRR1 (0.33) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL25709446 0.80 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL21561616 0.77 GRIK1 (0.39)
SCHEMBL8216810 0.77 MMP1 (0.38) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL869262 0.77 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL542102 0.76 EGLN1 (0.38) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL1003214 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1
SCHEMBL5066823 0.75 MGAM (0.46) ALDH1A1KDM4EHSD17B10CYP3A4HTT
SCHEMBL9405299 0.75 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TP53CYP3A4MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2810784-A1 RESIN COMPOSITION FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE, ORIGINAL PLATE FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE AND METHOD FOR PRODUCTION THEREOF, AND FLEXOGRAPHIC PRINTING PLATE AND METHOD FOR PRODUCTION THEREOF Fujifilm Corporation (JP) 2014-12-10 EP disclosed
US-20140338550-A1 RESIN COMPOSITION FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE, FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER-ENGRAVABLE AND PROCESS FOR PRODUCING SAME, AND FLEXOGRAPHIC PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2014-11-20 US disclosed
US-20140338550-A1 RESIN COMPOSITION FOR LASER-ENGRAVABLE FLEXOGRAPHIC PRINTING PLATE, FLEXOGRAPHIC PRINTING PLATE PRECURSOR FOR LASER-ENGRAVABLE AND PROCESS FOR PRODUCING SAME, AND FLEXOGRAPHIC PRINTING PLATE AND PROCESS FOR MAKING SAME FUJIFILM CORPORATION (JP) 2014-11-20 US disclosed