SCHEMBL16690178

SCHEMBL16690178

CCCC(=O)O/N=C(/C)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
MAPT P10636 12/20 0.41
MAPK1 P28482 4/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CES2 O00748 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL16690272 0.94 ALDH1A1 (0.47) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL16690251 0.92 MAPT (0.41) ALDH1A1TDP1MAPTMAPK1GAA
SCHEMBL16690165 0.91 ALDH1A1 (0.43) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL16690168 0.90 ALDH1A1 (0.41) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL16690195 0.88 BCL9 (0.51) ALDH1A1BCL9CTNNB1MAPTMAPK1
SCHEMBL16690163 0.87 ALDH1A1 (0.42) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL16690161 0.87 ALDH1A1 (0.43) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL16690201 0.87 CES2 (0.44) ALDH1A1TDP1BCL9CTNNB1MAPT
SCHEMBL16690222 0.87 CES2 (0.42) ALDH1A1MAPTMAPK1GAALMNA
SCHEMBL16690162 0.85 ALDH1A1 (0.44) ALDH1A1TDP1BCL9CTNNB1MAPT

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-2015064958-A1 NOVEL OXIME ESTER BIPHENYL COMPOUND, PHOTO INITIATOR AND PHOTOSENSITIVE RESIN COMPOSITION CONTAINING SAME 한국화학연구원 2015-05-07 WO disclosed