SCHEMBL11025870

SCHEMBL11025870

C=C(C)C(=O)OCc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
TSHR P16473 3/20 0.43
GPR35 Q9HC97 2/20 0.43
ALDH1A1 P00352 6/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL22552837 0.92 MAOB (0.38) MAOBTSHRGPR35ALDH1A1HTT
SCHEMBL11026177 0.88 MAOB (0.36) MAOBTSHRGPR35ALDH1A1LMNA
SCHEMBL719824 0.87 MAOB (0.56) MAOBTSHRALDH1A1LMNAHTT
SCHEMBL11025521 0.87 MAOB (0.41) MAOBTSHRGPR35ALDH1A1HTT
SCHEMBL5604448 0.86 MAOB (0.50) MAOBTSHRGPR35ALDH1A1LMNA
SCHEMBL11029380 0.85 MAOB (0.40) MAOBTSHRGPR35ALDH1A1HTT
SCHEMBL11025770 0.83 MAOB (0.41) MAOBTSHRGPR35ALDH1A1HTT
SCHEMBL499373 0.83 GPR35 (0.50) MAOBTSHRGPR35ALDH1A1HTT
SCHEMBL11024091 0.81 KMT2A (0.38) MAOBTSHRGPR35ALDH1A1HTT
SCHEMBL5490051 0.80 GPR35 (0.47) MAOBTSHRGPR35ALDH1A1LMNA

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