SCHEMBL9926311

SCHEMBL9926311

CCOCCOCCNC(=O)Cn1c(=O)oc(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ASAH1 Q13510 1/20 0.44
CYP2C19 P33261 1/20 0.44
S1PR2 O95136 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CNR2 P34972 1/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3456759 0.75 KDM4E (0.62) LMNAHTTTDP1ALDH1A1CYP2C19
SCHEMBL6300684 0.75 KDM4E (0.59) LMNAHTTPOLBGAATDP1
SCHEMBL11747954 0.73 HPGD (0.48) LMNAHTTALDH1A1GLAHPGD
SCHEMBL27210129 0.72 HTT (0.44) LMNAHTTALDH1A1GLASMN1; SMN2
SCHEMBL29811259 0.72 HTT (0.44) LMNAHTTALDH1A1GLASMN1; SMN2
SCHEMBL3538416 0.71 KDM4E (0.64) ALDH1A1GLA
SCHEMBL4415935 0.70 LMNA (1.00) LMNANPSR1HTTPOLBGAA
SCHEMBL11745728 0.70 SMN1; SMN2 (0.52) LMNAHTTPOLBALDH1A1GLA
SCHEMBL6305077 0.70 ALDH1A1 (0.59) LMNANPSR1HTTPOLBTDP1
SCHEMBL11746772 0.69 CYP1A2 (0.45) LMNAPOLBALDH1A1GLASMN1; SMN2

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-2012076794-A1 FUNCTIONALIZATION PROCESSES AND REACTANTS USED IN SUCH PROCESSES USING AN ISATOIC ANHYDRIDE OR A DERIVATIVE THEREOF, BIOLOGICAL MOLECULES THUS TREATED AND KITS BIOMERIEUX (FR) 2012-06-14 WO disclosed