SCHEMBL16690141

SCHEMBL16690141

CC(=O)O/N=C(\C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.56
CES2 O00748 2/20 0.56
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.43
NQO2 P16083 1/20 0.43
MAPT P10636 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AHR P35869 1/20 0.41

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
SCHEMBL267756 0.90 CES1 (0.54) CES1CES2MAPK1POLBSMN1; SMN2
SCHEMBL267729 0.89 CES1 (0.52) CES1CES2MAPK1POLBSMN1; SMN2
SCHEMBL267741 0.89 CES1 (0.52) CES1CES2MAPK1POLBSMN1; SMN2
SCHEMBL16690217 0.89 CES1 (0.57) CES1CES2MAPK1POLBSMN1; SMN2
SCHEMBL267670 0.88 CES1 (0.51) CES1CES2MAPK1POLBSMN1; SMN2
SCHEMBL16690153 0.87 CES1 (0.52) CES1CES2MAPK1POLBSMN1; SMN2
SCHEMBL16690144 0.87 CES2 (0.48) CES1CES2MAPK1POLBSMN1; SMN2
SCHEMBL16690239 0.86 MAPK1 (0.56) CES1CES2MAPK1POLBSMN1; SMN2
SCHEMBL16690189 0.85 MAPT (0.50) CES1CES2MAPK1POLBSMN1; SMN2
SCHEMBL16690143 0.84 ALDH1A1 (0.48) CES1CES2MAPK1SMN1; SMN2ALDH1A1

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