SCHEMBL16690258

SCHEMBL16690258

O=C(O/N=C(\C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C1CCCC1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
POLB P06746 3/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 7/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 6/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PGR P06401 1/20 0.42
AHR P35869 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL16690255 0.88 ALDH1A1 (0.43) CES2CES1POLBMAPTNPC1
SCHEMBL16690259 0.86 ALDH1A1 (0.42) CES2CES1POLBMAPTNPC1
SCHEMBL16690169 0.85 ATM (0.49) CES2CES1POLBMAPK1MAPT
SCHEMBL16690205 0.85 ALDH1A1 (0.58) CES1POLBMAPK1MAPTNPC1
SCHEMBL16690242 0.85 ALDH1A1 (0.58) CES1POLBMAPK1MAPTNPC1
SCHEMBL16690142 0.84 ATM (0.51) CES2CES1POLBMAPK1MAPT
SCHEMBL16690229 0.83 ALDH1A1 (0.50) CES1POLBMAPTNPC1RAB9A
SCHEMBL16690150 0.82 ALDH1A1 (0.52) CES1POLBMAPTL3MBTL1SMN1; SMN2
SCHEMBL16690177 0.81 ALDH1A1 (0.53) CES1POLBMAPTL3MBTL1SMN1; SMN2
SCHEMBL16690217 0.80 CES1 (0.57) CES2CES1POLBMAPK1MAPT

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