SCHEMBL9156958

SCHEMBL9156958

CC(C)(c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.53
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX5 P09917 4/20 0.47
PTGES O14684 1/20 0.47
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
POLB P06746 2/20 0.46
TYMS P04818 1/20 0.46
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
HGFAC Q04756 1/20 0.44
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9156978 0.84 ALOX5 (0.50) NR1H4MAPTALDH1A1ALOX5PTGES
SCHEMBL14118889 0.82 KMT2A (0.58) KMT2APKMMAPTALDH1A1POLB
SCHEMBL11117550 0.80 KMT2A (0.57) NR1H4KMT2APKMMAPTALDH1A1
SCHEMBL9153761 0.80 NR1H4 (0.49) NR1H4KMT2APKMMAPTPOLB
SCHEMBL19475609 0.78 KMT2A (0.68) KMT2APKMMAPTALDH1A1ALOX5
SCHEMBL2885963 0.78 ALOX5 (0.63) KMT2APKMMAPTALDH1A1ALOX5
SCHEMBL9316017 0.78 KMT2A (0.49) KMT2APKMMAPTALDH1A1ALOX5
SCHEMBL4358642 0.77 MAPT (0.41) KMT2AMAPTMEN1RAB9ANPSR1
SCHEMBL10689859 0.77 MAPT (0.58) KMT2APKMMAPTALDH1A1ALOX5
SCHEMBL9497268 0.77 HSPB1 (0.51) KMT2AMAPTALDH1A1MAPK1MEN1

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
US-5397419-A Dissolving in solvent, coating or impregnation to form prepreg, heating, pressurization; heat resistant paints, electronics KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-03-14 US disclosed