SCHEMBL16690167

SCHEMBL16690167

CCCC(=O)O/N=C(\C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.34
PDE5A O76074 1/20 0.34
AVPR2 P30518 1/20 0.34
AVPR1A P37288 1/20 0.34

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
SCHEMBL16690180 0.99 MAPT (0.41) ALDH1A1KMT2AMAPTMEN1HRH2
SCHEMBL16690203 0.94 MAPT (0.39) ALDH1A1KMT2AMAPTMEN1HRH2
SCHEMBL16690199 0.94 MAPT (0.39) ALDH1A1KMT2AMAPTMEN1HRH2
SCHEMBL16690234 0.92 HRH2 (0.38) ALDH1A1KMT2AMAPTMEN1HRH2
SCHEMBL16690145 0.91 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTMEN1HRH2
SCHEMBL16690162 0.88 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL16690216 0.87 MAPT (0.45) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL16690187 0.87 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTMEN1HRH2
SCHEMBL16690139 0.86 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTMEN1HRH2
SCHEMBL16690177 0.85 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1L3MBTL1

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