SCHEMBL23895372

SCHEMBL23895372

O=C(CCC(=O)OCC1COC(=O)O1)OCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DUSP3 P51452 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DGKA P23743 1/20 0.39
FAAH O00519 4/20 0.37
POLB P06746 1/20 0.35
MGLL Q99685 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
CNR2 P34972 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
SCHEMBL17028973 0.86 KDM4E (0.33) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL21301194 0.86 LMNA (0.44) LMNAPOLBMGLLALDH1A1L3MBTL1
SCHEMBL21432313 0.85 KDM4E (0.33) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL23933946 0.84 LMNA (0.36) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL14003899 0.81 LMNA (0.46) LMNAPOLBMGLL
SCHEMBL13217160 0.81 LMNA (0.50) LMNAPOLBMGLLALDH1A1
SCHEMBL16769340 0.80 ALDH1A1 (0.41) LMNAMEN1KMT2AALDH1A1
SCHEMBL13599890 0.80 ALDH1A1 (0.51) LMNAPOLBMGLLALDH1A1
SCHEMBL17227788 0.80 MGLL (0.46) LMNAPOLBMGLL
SCHEMBL1605312 0.78 KDM4E (0.33) LMNAKDM4EDUSP3MEN1KMT2A

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
US-20210309797-A1 Method for Producing Functionalized Polyesters HENKEL IBERICA S.A. (ES) 2021-10-07 US disclosed