SCHEMBL9998983

SCHEMBL9998983

CCCC(=O)ONCC(O)CNOC(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL29138671 0.80 FFAR1 (0.49) CNR2LMNAKDM4EDUSP3MEN1
SCHEMBL28214912 0.79 ALDH1A1 (0.44) ALDH1A1CNR2CNR1LMNAHDAC3
SCHEMBL29042236 0.74 LMNA (0.57) CNR2CNR1LMNAKDM4EDUSP3
SCHEMBL7592305 0.73
SCHEMBL29073212 0.73 LMNA (0.59) CNR2CNR1LMNAKDM4EDUSP3
SCHEMBL5944386 0.73 LMNA (0.59) CNR2CNR1LMNAKDM4EDUSP3
SCHEMBL29073348 0.73 LMNA (0.59) CNR2CNR1LMNAKDM4EDUSP3
SCHEMBL29138692 0.73 FFAR4 (0.49) CNR2LMNAKDM4EDUSP3MEN1
SCHEMBL29138675 0.73 FFAR4 (0.49) CNR2LMNAKDM4EDUSP3MEN1
SCHEMBL11407664 0.71 ALDH1A1 (0.50) ALDH1A1CNR2CNR1HDAC3HDAC1

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-2011158176-A2 GOLD COMPLEXES UNIVERSITY OF KWAZULU-NATAL (ZA) 2011-12-22 WO claimed