SCHEMBL11026499

SCHEMBL11026499

C=CC(=O)OC(C)c1cc([N+](=O)[O-])ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
GPR35 Q9HC97 2/20 0.42
TDP1 Q9NUW8 5/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TGM2 P21980 1/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 6/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL11025089 0.90 ALDH1A1 (0.45) ALDH1A1GPR35TDP1POLBSMN1; SMN2
SCHEMBL11025901 0.84 ALDH1A1 (0.46) ALDH1A1GPR35TDP1POLBSMN1; SMN2
SCHEMBL11022930 0.83 PDK1 (0.37) ALDH1A1TDP1POLBHPGDLMNA
SCHEMBL11026874 0.83 TDP1 (0.43) ALDH1A1GPR35TDP1POLBSMN1; SMN2
SCHEMBL10530013 0.82 ALDH1A1 (0.51) ALDH1A1TDP1POLBSMN1; SMN2HPGD
SCHEMBL11023130 0.82 ALDH1A1 (0.42) ALDH1A1GPR35TDP1POLBSMN1; SMN2
SCHEMBL11025303 0.80 PDK1 (0.35) ALDH1A1GPR35TDP1POLBSMN1; SMN2
SCHEMBL11024996 0.80 KMT2A (0.41) ALDH1A1GPR35TDP1POLBSMN1; SMN2
SCHEMBL11025251 0.79 KMT2A (0.47) ALDH1A1MAPK1HPGDTGM2MAPT
SCHEMBL11024371 0.78 CASP6 (0.40) ALDH1A1TDP1POLBSMN1; SMN2HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed