SCHEMBL1104287

SCHEMBL1104287

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL1104260 0.83 ACACB (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1104294 0.81 KDM4E (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1104275 0.80 LMNA (0.32) HIF1AHSD11B1
SCHEMBL9405299 0.77 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1003214 0.77 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL869494 0.77 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL426446 0.76 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1544762 0.75 HSD11B1 (0.49) ALDH1A1HIF1AHSD11B1
SCHEMBL1357290 0.75 MAPK1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL542102 0.75 EGLN1 (0.38) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 US disclosed