SCHEMBL3239407

SCHEMBL3239407

CSc1ccc(OC(=O)OC(C)COC(=O)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
RCE1 Q9Y256 1/20 0.34
ACACB O00763 2/20 0.33
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
SLC6A4 P31645 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
SCHEMBL16703049 0.84 ELANE (0.41) ELANEMAPTKDM4ELMNANPSR1
SCHEMBL2295072 0.81 ELANE (0.42) ELANEMAPTKDM4ELMNANPSR1
SCHEMBL2289818 0.81 ELANE (0.42) ELANEMAPTKDM4ELMNANPSR1
SCHEMBL3234259 0.80 MMP2 (0.42) ELANEMAPTPOLBKMT2AMMP2
SCHEMBL3239401 0.80 ELANE (0.39) ELANEMAPTKDM4ELMNANPSR1
SCHEMBL2286310 0.79 ELANE (0.41) ELANEMAPTKDM4ELMNANPSR1
SCHEMBL2287443 0.76 AKR1C3 (0.37) ELANEMAPTKDM4ELMNANPSR1
SCHEMBL25639011 0.75 MTNR1A (0.45) LMNAALDH1A1SMN1; SMN2CA2
SCHEMBL9351782 0.75 MEN1 (0.50) ELANEMAPTKDM4ELMNANPSR1
SCHEMBL10434505 0.74 AKR1C3 (0.36) ELANEMAPTKDM4ELMNANPSR1

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-2010017504-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2010-02-11 WO disclosed