SCHEMBL16690199

SCHEMBL16690199

CCCCC(=O)O/N=C(\C(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 3/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL16690203 0.99 MAPT (0.39) MAPTKMT2AALDH1A1MEN1HRH2
SCHEMBL16690180 0.95 MAPT (0.41) MAPTKMT2AALDH1A1MEN1HRH2
SCHEMBL16690167 0.94 ALDH1A1 (0.40) MAPTKMT2AALDH1A1MEN1HRH2
SCHEMBL16690145 0.91 ALDH1A1 (0.39) MAPTKMT2AALDH1A1MEN1HRH2
SCHEMBL16690234 0.90 HRH2 (0.38) MAPTKMT2AALDH1A1MEN1HRH2
SCHEMBL16690186 0.89 MAPT (0.44) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL16690219 0.88 ALDH1A1 (0.43) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL16690191 0.86 MAPT (0.52) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL16690139 0.86 ALDH1A1 (0.39) MAPTKMT2AALDH1A1MEN1HRH2
SCHEMBL16690215 0.85 MAPT (0.51) MAPTKMT2AALDH1A1MEN1POLB

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