SCHEMBL16690179

SCHEMBL16690179

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
KMT2A Q03164 6/20 0.53
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AR P10275 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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 0.94 MAPT (0.50) MAPTKMT2ACES2CES1POLB
SCHEMBL16690153 0.89 CES1 (0.52) MAPTKMT2ACES2CES1POLB
SCHEMBL16690192 0.89 KMT2A (0.45) MAPTKMT2ACES2CES1HDAC3
SCHEMBL16690196 0.87 MAPT (0.41) MAPTKMT2ACES2CES1MEN1
SCHEMBL16690228 0.84 MAPT (0.49) MAPTKMT2ACES1POLBMAPK1
SCHEMBL16690273 0.84 MAPT (0.48) MAPTKMT2ACES1POLBMAPK1
SCHEMBL16690141 0.83 CES1 (0.56) MAPTKMT2ACES2CES1POLB
SCHEMBL16690201 0.82 CES2 (0.44) MAPTKMT2ACES2CES1POLB
SCHEMBL16690166 0.82 MAPT (0.51) MAPTKMT2AMAPK1HDAC3HDAC1
SCHEMBL16690217 0.82 CES1 (0.57) MAPTKMT2ACES2CES1POLB

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