SCHEMBL6887729

SCHEMBL6887729

CC(=O)NOONC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CA2 P00918 1/20 0.44
PTGS1 P23219 1/20 0.44
MMP12 P39900 1/20 0.44
CRBN Q96SW2 1/20 0.42
NFKB1 P19838 1/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
TAS2R38 P59533 1/20 0.38
TSHR P16473 2/20 0.35
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
THPO P40225 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL30589152 0.83
SCHEMBL13899973 0.81
SCHEMBL3847236 0.77
SCHEMBL28697160 0.74 CRBN (0.31) ALDH1A1KDM4ECA2PTGS1MMP12
SCHEMBL9105 0.74
SCHEMBL1563009 0.72
SCHEMBL27466597 0.72
SCHEMBL6966259 0.72
Hydrogen Sulfide SCHEMBL28225329 0.72
SCHEMBL9426068 0.69

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-2004034032-A2 SLIVER TYPE AUTONOMOUS BIOSENSORS CASE WESTERN RESERVE UNIVERSITY (US) 2004-04-22 WO claimed