SCHEMBL16690153

SCHEMBL16690153

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
POLB P06746 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 8/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
AR P10275 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 2/20 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
SCHEMBL16690189 0.91 MAPT (0.50) CES1CES2POLBMAPK1MAPT
SCHEMBL16690179 0.89 MAPT (0.53) CES1CES2POLBMAPK1MAPT
SCHEMBL16690146 0.88 CES2 (0.46) CES1CES2POLBMAPTSMN1; SMN2
SCHEMBL16690141 0.87 CES1 (0.56) CES1CES2POLBMAPK1MAPT
SCHEMBL16690217 0.85 CES1 (0.57) CES1CES2POLBMAPK1MAPT
SCHEMBL16690151 0.85 ALDH1A1 (0.45) CES1CES2MAPTKMT2AMEN1
SCHEMBL16690249 0.83 CES1 (0.47) CES1CES2POLBMAPK1MAPT
SCHEMBL16690172 0.80 MAPK1 (0.47) POLBMAPK1MAPTSMN1; SMN2KMT2A
SCHEMBL16690183 0.80 MAPT (0.46) CES1POLBMAPK1MAPTSMN1; SMN2
SCHEMBL16690201 0.80 CES2 (0.44) CES1CES2POLBMAPTSMN1; SMN2

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