SCHEMBL16690144

SCHEMBL16690144

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
CES1 P23141 2/20 0.44
POLB P06746 3/20 0.40
RAB9A P51151 2/20 0.40
PTGS2 P35354 2/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TTR P02766 1/20 0.38
LMNA P02545 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL16690198 0.91 CES2 (0.49) CES2CES1POLBRAB9AKMT2A
SCHEMBL16690146 0.89 CES2 (0.46) CES2CES1POLBRAB9AKMT2A
SCHEMBL16690246 0.88 CES2 (0.45) CES2CES1POLBRAB9APTGS2
SCHEMBL16690143 0.88 ALDH1A1 (0.48) CES2CES1MAPK1KMT2AMAPT
SCHEMBL16690201 0.87 CES2 (0.44) CES2CES1POLBRAB9AKMT2A
SCHEMBL16690222 0.87 CES2 (0.42) CES2CES1RAB9AMAPK1KMT2A
SCHEMBL16690141 0.87 CES1 (0.56) CES2CES1POLBRAB9AMAPK1
SCHEMBL16690192 0.86 KMT2A (0.45) CES2CES1KMT2AMAPTMEN1
SCHEMBL16690265 0.84 CES2 (0.49) CES2CES1POLBRAB9AKMT2A
SCHEMBL16690171 0.83 TTR (0.40) CES2POLBMAPK1KMT2AMAPT

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