SCHEMBL11028007

SCHEMBL11028007

C=C(C)C(=O)OCCc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 3/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
SNCA P37840 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL11025667 0.92 ALDH1A1 (0.46) THRBALDH1A1TDP1TSHRPOLB
SCHEMBL11026774 0.87 ALDH1A1 (0.39) ALDH1A1TDP1TSHRPOLBLMNA
SCHEMBL11026162 0.86 ALDH1A1 (0.56) THRBALDH1A1TDP1TSHRPOLB
SCHEMBL9404693 0.84 MAOB (0.48) THRBALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL11023135 0.83 ALDH1A1 (0.47) THRBALDH1A1TDP1TSHRPOLB
SCHEMBL11026911 0.82 ALDH1A1 (0.40) THRBALDH1A1TDP1TSHRPOLB
SCHEMBL11025473 0.81 ALDH1A1 (0.40) THRBALDH1A1TDP1TSHRPOLB
SCHEMBL11029438 0.81 THRB (0.39) THRBALDH1A1TDP1TSHRPOLB
SCHEMBL11024955 0.80 THRB (0.41) THRBALDH1A1TDP1TSHRPOLB
SCHEMBL11027009 0.80 KMT2A (0.42) THRBALDH1A1TDP1TSHRPOLB

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