SCHEMBL2777280

SCHEMBL2777280

CC(NC(=O)OC(C)(C)C)C(=O)Oc1cc(C(=O)O)ccc1OCCCO[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
PTPN1 P18031 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
HRH2 P25021 3/20 0.36
HRH1 P35367 3/20 0.36
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
PTGS2 P35354 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL2782646 0.99 EPHX2 (0.40) EPHX2KDM4EHPGDGLAGAA
SCHEMBL2778319 0.86 ALDH1A1 (0.42) EPHX2KDM4EHPGDGLAGAA
SCHEMBL2778886 0.86 ALDH1A1 (0.42) EPHX2KDM4EHPGDGLAGAA
SCHEMBL13086369 0.86 EPHX2 (0.40) EPHX2KDM4EHPGDGLAGAA
SCHEMBL13086405 0.85 EPHX2 (0.41) EPHX2KDM4EHPGDGLAGAA
SCHEMBL2781215 0.84 ALDH1A1 (0.40) KDM4EHPGDGLAGAAMAPT
SCHEMBL2777905 0.83 ALDH1A1 (0.41) KDM4EHPGDGLAGAAMAPT
SCHEMBL2777282 0.81 EPHX2 (0.39) EPHX2KDM4EHPGDGLAGAA
SCHEMBL2782649 0.80 EPHX2 (0.38) EPHX2KDM4EHPGDGLAGAA
SCHEMBL13085814 0.72 EPHX2 (0.39) EPHX2KDM4EHPGDGLAGAA

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