SCHEMBL9766276

SCHEMBL9766276

C=C(C)C(=O)OCCN(C)c1ccc(C=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
PTGS2 P35354 5/20 0.40
PTGS1 P23219 2/20 0.36
MMP14 P50281 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TLR9 Q9NR96 1/20 0.35
INSR P06213 1/20 0.35
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
CLK1 P49759 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL6046909 0.89 MAPT (0.46) MAPTKMT2APTGS2PTGS1MMP14
SCHEMBL6046910 0.89 MAPT (0.46) MAPTKMT2APTGS2PTGS1MMP14
SCHEMBL9766280 0.85 MAPT (0.45) MAPTMAPK1KMT2APTGS2PTGS1
SCHEMBL9638174 0.85 PTGS2 (0.45) MAPTALDH1A1KMT2APTGS2PTGS1
SCHEMBL9551059 0.82 MAPT (0.52) MAPTALDH1A1TDP1MAPK1KMT2A
SCHEMBL9650790 0.81 MAPT (0.48) MAPTALDH1A1TDP1MAPK1KMT2A
SCHEMBL9650794 0.81 MAPT (0.48) MAPTALDH1A1TDP1MAPK1KMT2A
SCHEMBL9655690 0.80 PPARG (0.46) MAPTALDH1A1KMT2AHTTPTGS2
SCHEMBL6046907 0.78 PTGS2 (0.44) MAPTALDH1A1KMT2APTGS2PTGS1
SCHEMBL6046908 0.78 PTGS2 (0.44) MAPTALDH1A1KMT2APTGS2PTGS1

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-1991003683-A1 ACRYLIC COPOLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORP (US) 1991-03-21 WO disclosed