SCHEMBL3790252

SCHEMBL3790252

CC(O)OC(C)N1C(=O)C=CC1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALDH1A1 P00352 2/20 0.31
BLM P54132 2/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL11939115 0.82 MGLL (0.36) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL17325041 0.78 ALDH1A1 (0.32) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL2835666 0.75 MGLL (0.38) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL331187 0.74 MGLL (0.41) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL3173583 0.72 TSHR (0.41) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL9831120 0.72 LMNA (0.49) ALDH1A1LMNAMAPT
SCHEMBL7142064 0.71 LMNA (0.34) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL17924892 0.70 MGLL (0.38) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL9080470 0.70 MGLL (0.33) MGLLGSK3AGSK3BALDH1A1BLM
SCHEMBL2607935 0.70 MGLL (0.39) MGLLGSK3AGSK3BALDH1A1BLM

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-7786213-B2 Biomacromolecule polymer conjugates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 US disclosed