SCHEMBL16690166

SCHEMBL16690166

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.51
KMT2A Q03164 7/20 0.51
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
ALDH1A1 P00352 7/20 0.46
MEN1 O00255 4/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GAA P10253 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
SCHEMBL16690152 0.95 ALDH1A1 (0.51) MAPTKMT2AHDAC3HDAC1HDAC2
SCHEMBL16690157 0.93 BCL9 (0.53) MAPTKMT2AHDAC3HDAC1HDAC2
SCHEMBL16690228 0.88 MAPT (0.49) MAPTKMT2AHDAC3HDAC1HDAC2
SCHEMBL16690172 0.87 MAPK1 (0.47) MAPTKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL16690159 0.87 ALDH1A1 (0.48) MAPTKMT2AHDAC3HDAC1HDAC2
SCHEMBL16690273 0.85 MAPT (0.48) MAPTKMT2AHDAC3HDAC1HDAC2
SCHEMBL16690149 0.83 ALDH1A1 (0.47) MAPTKMT2AHDAC3HDAC1HDAC2
SCHEMBL16690158 0.83 KMT2A (0.43) MAPTKMT2AALDH1A1MEN1TDP1
SCHEMBL16690179 0.82 MAPT (0.53) MAPTKMT2AHDAC3HDAC1HDAC2
SCHEMBL16690175 0.82 HDAC3 (0.46) MAPTKMT2AHDAC3HDAC1HDAC2

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