SCHEMBL13086369

SCHEMBL13086369

CC(NC(=O)OC(C)(C)C)C(=O)Oc1cc(C(=O)O)ccc1OCCCON(O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SRC P12931 1/20 0.37
HRH2 P25021 4/20 0.36
HRH1 P35367 4/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
PTPN1 P18031 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL13086405 0.99 EPHX2 (0.41) EPHX2KDM4EHPGDGAAGLA
SCHEMBL13085814 0.86 EPHX2 (0.39) EPHX2KDM4EHPGDGAAGLA
SCHEMBL2777280 0.86 EPHX2 (0.39) EPHX2KDM4EHPGDGAAGLA
SCHEMBL13086318 0.86 ALDH1A1 (0.40) EPHX2KDM4EHPGDGAAGLA
SCHEMBL13086364 0.85 HPGD (0.40) EPHX2KDM4EHPGDGAAGLA
SCHEMBL2782646 0.85 EPHX2 (0.40) EPHX2KDM4EHPGDGAAGLA
SCHEMBL13086523 0.83 ALDH1A1 (0.41) KDM4EHPGDGAAGLAMAPT
SCHEMBL13086453 0.82 PTGS2 (0.38) EPHX2KDM4EHPGDGAAGLA
SCHEMBL13086370 0.82 EPHX2 (0.37) EPHX2KDM4EHPGDGAAGLA
SCHEMBL13086256 0.82 ALDH1A1 (0.42) KDM4EHPGDGAAGLAMAPT

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-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed