SCHEMBL11028004

SCHEMBL11028004

C=C(C)C(=O)OC(C)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
PDK1 Q15118 2/20 0.37
TDP1 Q9NUW8 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
TPMT P51580 1/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GALR2 O43603 1/20 0.32
MITF O75030 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
CCR6 P51684 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP6 P55212 1/20 0.32

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
SCHEMBL11026161 0.83 ALDH1A1 (0.45) ALDH1A1PDK1TDP1CRHBPCRHR2
SCHEMBL11023130 0.83 ALDH1A1 (0.42) ALDH1A1LMNATDP1MAPTPOLB
SCHEMBL22602305 0.83 POLB (0.42) ALDH1A1LMNATDP1MAPTPOLB
SCHEMBL11025662 0.82 ALDH1A1 (0.55) ALDH1A1LMNAPDK1TDP1NPSR1
SCHEMBL9775501 0.81 ALDH1A1 (0.51) ALDH1A1LMNATDP1NPSR1MAPT
SCHEMBL11026910 0.80 CASP6 (0.40) ALDH1A1LMNAPDK1MAPTSMN1; SMN2
SCHEMBL11025471 0.80 TDP1 (0.43) ALDH1A1LMNATDP1NPSR1MAPT
SCHEMBL11022930 0.79 PDK1 (0.37) ALDH1A1LMNAPDK1TDP1CRHBP
SCHEMBL11029436 0.79 PDK1 (0.35) ALDH1A1LMNAPDK1NPSR1MAPT
SCHEMBL11024952 0.78 MEN1 (0.34) ALDH1A1LMNAPDK1TDP1MAPT

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