SCHEMBL16690148

SCHEMBL16690148

CCC(=O)O/N=C(\C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16690216 0.93 MAPT (0.45) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL16690162 0.92 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL16690186 0.91 MAPT (0.44) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL16690219 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL16690140 0.90 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL16690237 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL16690210 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL16690188 0.89 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL16690150 0.89 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTMEN1POLB
SCHEMBL16690145 0.88 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTMEN1POLB

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