SCHEMBL11025518

SCHEMBL11025518

C=C(C)C(=O)OC(C)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
GPR35 Q9HC97 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 3/20 0.37
TDP1 Q9NUW8 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GLA P06280 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 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
SCHEMBL11029436 0.88 PDK1 (0.35) TSHRGPR35ALDH1A1MAPTNPSR1
SCHEMBL9775501 0.88 ALDH1A1 (0.51) TSHRALDH1A1CYP1A2TDP1MAPT
SCHEMBL11029377 0.84 ALDH1A1 (0.43) TSHRGPR35ALDH1A1CYP1A2TDP1
SCHEMBL11029069 0.83 ALDH1A1 (0.40) TSHRGPR35ALDH1A1TDP1L3MBTL1
SCHEMBL11025857 0.82 TSHR (0.42) TSHRGPR35ALDH1A1CYP1A2TDP1
SCHEMBL11027707 0.81 TSHR (0.34) TSHRGPR35ALDH1A1TDP1L3MBTL1
SCHEMBL11025471 0.81 TDP1 (0.43) GPR35ALDH1A1CYP1A2TDP1MAPT
SCHEMBL11028004 0.78 ALDH1A1 (0.38) ALDH1A1TDP1MAPTNPSR1POLB
SCHEMBL11024952 0.77 MEN1 (0.34) ALDH1A1CYP1A2TDP1MAPTMEN1
SCHEMBL11026161 0.76 ALDH1A1 (0.45) TSHRGPR35ALDH1A1CYP1A2TDP1

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