SCHEMBL2777282

SCHEMBL2777282

CCC(Oc1ccc(C(=O)O)cc1OC(=O)C(C)NC(=O)OC(C)(C)C)O[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 1/20 0.39
HCAR3 P49019 3/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RAB9A P51151 2/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34
EP300 Q09472 1/20 0.33
HIF1A Q16665 1/20 0.33
SRC P12931 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
SCHEMBL2782649 0.93 EPHX2 (0.38) EPHX2KDM4EMAPTHPGDGAA
SCHEMBL2782646 0.82 EPHX2 (0.40) EPHX2KDM4EMAPTHPGDGAA
SCHEMBL2777280 0.81 EPHX2 (0.39) EPHX2KDM4EMAPTHPGDGAA
SCHEMBL2777909 0.77 ALDH1A1 (0.39) KDM4EMAPTHPGDGAAGLA
SCHEMBL13086405 0.75 EPHX2 (0.41) EPHX2KDM4EMAPTHPGDGAA
SCHEMBL2778319 0.69 ALDH1A1 (0.42) EPHX2KDM4EMAPTHPGDGAA
SCHEMBL10456648 0.69 EPHX2 (0.46) EPHX2KDM4EMAPTHPGDGAA
SCHEMBL2795916 0.68 ALDH1A1 (0.35) KDM4EMAPTHPGDALDH1A1HTT
SCHEMBL16165348 0.67 HCAR3 (0.47) MAPTHPGDGAAALDH1A1HCAR3
SCHEMBL28408225 0.67 EPHX2 (0.54) EPHX2KDM4EMAPTHPGDGAA

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