SCHEMBL11025538

SCHEMBL11025538

C=C(C)C(=O)OC(CC)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37
MAOB P27338 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL11029377 0.89 ALDH1A1 (0.43) ALDH1A1LMNACYP1A2TSHRKMT2A
SCHEMBL23253716 0.87 ALDH1A1 (0.49) ALDH1A1LMNACYP1A2TSHRKMT2A
SCHEMBL8067996 0.86 ALDH1A1 (0.59) ALDH1A1LMNACYP1A2TSHRKMT2A
SCHEMBL11026105 0.85 ALDH1A1 (0.41) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL11286843 0.84 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2KMT2AMEN1
SCHEMBL11028202 0.84 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2TSHRKMT2A
SCHEMBL11025662 0.83 ALDH1A1 (0.55) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL9775501 0.82 ALDH1A1 (0.51) ALDH1A1LMNACYP1A2TSHRKMT2A
SCHEMBL28398494 0.82 ALDH1A1 (0.51) ALDH1A1LMNACYP1A2TSHRKMT2A
SCHEMBL11021342 0.82 ALDH1A1 (0.44) ALDH1A1LMNATSHRKMT2AMEN1

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