SCHEMBL11027007

SCHEMBL11027007

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.39
GPR35 Q9HC97 1/20 0.39
MAPT P10636 4/20 0.38
TDP1 Q9NUW8 4/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
RECQL P46063 2/20 0.35
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL11029704 0.89 ALDH1A1 (0.41) ALDH1A1LMNATSHRGPR35MAPT
SCHEMBL11025932 0.89 ALDH1A1 (0.48) ALDH1A1LMNATSHRMAPTTDP1
SCHEMBL11027978 0.85 SMN1; SMN2 (0.40) ALDH1A1LMNATSHRGPR35MAPT
SCHEMBL11025857 0.84 TSHR (0.42) ALDH1A1TSHRGPR35MAPTTDP1
SCHEMBL11029377 0.83 ALDH1A1 (0.43) ALDH1A1LMNATSHRGPR35MAPT
SCHEMBL11026434 0.82 ALDH1A1 (0.37) ALDH1A1LMNATSHRGPR35MAPT
SCHEMBL11021380 0.82 TDP1 (0.48) ALDH1A1LMNAGPR35MAPTTDP1
SCHEMBL28052701 0.80 TSHR (0.49) ALDH1A1LMNATSHRGPR35MAPT
SCHEMBL11023294 0.80 LMNA (0.52) ALDH1A1LMNAMAPTTDP1MAPK1
SCHEMBL11023151 0.79 ALDH1A1 (0.40) ALDH1A1LMNAMAPTTDP1MAPK1

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