SCHEMBL16690143

SCHEMBL16690143

CC(=O)O/N=C(\C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADAMTS4 O75173 1/20 0.44
CES2 O00748 3/20 0.42
CES1 P23141 2/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PRMT5 O14744 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL16690218 0.89 ALDH1A1 (0.49) ALDH1A1TDP1ADAMTS4CES2CES1
SCHEMBL16690144 0.88 CES2 (0.48) ALDH1A1CES2CES1MAPTLMNA
SCHEMBL16690151 0.88 ALDH1A1 (0.45) ALDH1A1TDP1ADAMTS4CES2CES1
SCHEMBL16690226 0.87 ALDH1A1 (0.48) ALDH1A1TDP1ADAMTS4CES2CES1
SCHEMBL16690245 0.87 ALDH1A1 (0.51) ALDH1A1TDP1ADAMTS4CES2CES1
SCHEMBL16690181 0.86 ALDH1A1 (0.43) ALDH1A1TDP1ADAMTS4CES2CES1
SCHEMBL16690141 0.84 CES1 (0.56) ALDH1A1TDP1CES2CES1MAPT
SCHEMBL16690155 0.84 ALDH1A1 (0.50) ALDH1A1TDP1ADAMTS4MAPTLMNA
SCHEMBL16690196 0.84 MAPT (0.41) ALDH1A1TDP1ADAMTS4CES2CES1
SCHEMBL16690224 0.83 ALDH1A1 (0.43) ALDH1A1TDP1ADAMTS4CES2CES1

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