SCHEMBL4729415

SCHEMBL4729415

CC(O)C(=O)OC(C)C(=O)OCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
DGKA P23743 1/20 0.36
FAAH O00519 2/20 0.35
PRKCA P17252 2/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL30531662 0.86 LMNA (0.48) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL31683702 0.86 LMNA (0.48) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL320232 0.86 LMNA (0.48) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL7960059 0.84 LMNA (0.47) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL4836149 0.84 LMNA (0.47) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL4733112 0.82 MAPT (0.40)
Lactic Acid SCHEMBL28460211 0.80 TP53 (0.46) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL29660276 0.80 LMNA (0.44) KDM4EDUSP3MEN1KMT2ALMNA
SCHEMBL15249292 0.78 ALDH1A1 (0.33) LMNAPRKCA
SCHEMBL821336 0.77 TP53 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008057220-A2 APPLICATIONS OF BIOBASED GLYCOL COMPOSITIONS ARCHER-DANIELS-MIDLAND COMPANY (US) 2008-05-15 WO disclosed
US-20080103340-A1 APPLICATIONS OF BIOBASED GLYCOL COMPOSITIONS ARCHER-DANIELS-MIDLAND COMPANY (US) 2008-05-01 US disclosed