SCHEMBL16690169

SCHEMBL16690169

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 6/20 0.45
POLB P06746 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 4/20 0.44
MAPT P10636 2/20 0.44
CES1 P23141 2/20 0.43
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CES2 O00748 1/20 0.40
TSHR P16473 1/20 0.38
NQO2 P16083 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
SCHEMBL16690142 0.99 ATM (0.51) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690205 0.88 ALDH1A1 (0.58) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690242 0.88 ALDH1A1 (0.58) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690229 0.88 ALDH1A1 (0.50) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690188 0.88 ALDH1A1 (0.41) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690150 0.87 ALDH1A1 (0.52) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690140 0.87 ALDH1A1 (0.42) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690177 0.86 ALDH1A1 (0.53) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690258 0.85 CES2 (0.49) ATMALDH1A1KMT2APOLBL3MBTL1
SCHEMBL16690197 0.85 MAPT (0.53) ATMALDH1A1KMT2APOLBL3MBTL1

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