SCHEMBL16690233

SCHEMBL16690233

CCCCC/C(=N/OC(=O)CC)C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
GLA P06280 1/20 0.36
ADAMTS4 O75173 1/20 0.35
CTSL P07711 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
SCHEMBL16690193 0.91 ALDH1A1 (0.39) ALDH1A1TDP1HRH2HRH1CES2
SCHEMBL16690248 0.90 ALDH1A1 (0.43) ALDH1A1TDP1HRH2HRH1CES2
SCHEMBL16690260 0.89 CES2 (0.43) ALDH1A1TDP1HRH2HRH1CES2
SCHEMBL16690264 0.89 KMT2A (0.40) ALDH1A1TDP1HRH2HRH1CES2
SCHEMBL16690185 0.87 ALDH1A1 (0.41) ALDH1A1TDP1HRH2HRH1CES2
SCHEMBL16690230 0.84 ALDH1A1 (0.46) ALDH1A1CES1KMT2AMEN1MAPT
SCHEMBL16690238 0.84 ALDH1A1 (0.41) ALDH1A1TDP1HRH2HRH1CES2
SCHEMBL16690154 0.82 KMT2A (0.46) ALDH1A1TDP1HRH2HRH1KMT2A
SCHEMBL16690269 0.82 KMT2A (0.41) ALDH1A1TDP1HRH2HRH1CES2
SCHEMBL16690161 0.82 ALDH1A1 (0.43) ALDH1A1TDP1KMT2AMEN1MAPT

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