SCHEMBL4073835

SCHEMBL4073835

O=C(OCC(O)CO)OCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
MGLL Q99685 3/20 0.34

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
SCHEMBL377540 0.81 ALDH1A1 (0.57) ALDH1A1TP53CYP3A4MGLL
SCHEMBL17028973 0.81 KDM4E (0.33) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL21432313 0.79 KDM4E (0.33) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL2904704 0.79 LMNA (0.48) ALDH1A1KDM4EDUSP3MEN1KMT2A
SCHEMBL2904697 0.79 LMNA (0.48) ALDH1A1KDM4EDUSP3MEN1KMT2A
SCHEMBL44490 0.79 LMNA (0.48) ALDH1A1KDM4EDUSP3MEN1KMT2A
SCHEMBL7517250 0.79 ALDH1A1 (0.71) ALDH1A1TP53CYP3A4KDM4EDUSP3
SCHEMBL27996839 0.77 ALDH1A1 (0.49) ALDH1A1TP53CYP3A4KDM4EDUSP3
SCHEMBL27996838 0.77 ALDH1A1 (0.45) ALDH1A1TP53CYP3A4KDM4EDUSP3
Glycerin SCHEMBL28991424 0.77 LMNA (0.47) ALDH1A1KDM4EDUSP3MEN1KMT2A

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
WO-2009073938-A1 PROCESS TO TRANSFORM GLICEROL AND/OR BIOMASS INTO PRODUCTS OF GREATER AGGREGATE VALUE SENTEX INDUSTRIAL LTDA. (BR) 2009-06-18 WO disclosed