SCHEMBL11028237

SCHEMBL11028237

C=CC(=O)OCCc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 2/20 0.40
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.36
MET P08581 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
FBP1 P09467 1/20 0.32
APP P05067 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 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
SCHEMBL11023164 0.92 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11024867 0.88 MAPT (0.35) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11024373 0.84 THRB (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11027208 0.82 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL31373822 0.81 ALDH1A1 (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11026876 0.81 ALDH1A1 (0.39) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL22195129 0.79 TSHR (0.59) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11025170 0.79 THRB (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11024955 0.79 THRB (0.41) TSHRALDH1A1THRBHPGDFBP1
SCHEMBL11022933 0.78 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10

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