SCHEMBL16690146

SCHEMBL16690146

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
MAPT P10636 8/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CES1 P23141 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL16690201 0.92 CES2 (0.44) CES2MAPTKMT2AMEN1CYP1A2
SCHEMBL16690192 0.91 KMT2A (0.45) CES2MAPTKMT2AMEN1CYP1A2
SCHEMBL16690144 0.89 CES2 (0.48) CES2MAPTKMT2AMEN1CYP1A2
SCHEMBL16690151 0.89 ALDH1A1 (0.45) CES2MAPTKMT2AMEN1CYP1A2
SCHEMBL16690198 0.88 CES2 (0.49) CES2MAPTKMT2AMEN1CYP1A2
SCHEMBL16690153 0.88 CES1 (0.52) CES2MAPTKMT2AMEN1CYP1A2
SCHEMBL16690251 0.87 MAPT (0.41) CES2MAPTKMT2AMEN1CYP1A2
SCHEMBL16690250 0.86 KMT2A (0.39) CES2MAPTKMT2AMEN1CYP1A2
SCHEMBL16690173 0.83 MAPT (0.42) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL16690268 0.82 CES2 (0.46) CES2MAPTKMT2AMEN1CYP1A2

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