SCHEMBL6327015

SCHEMBL6327015

[CH2]CC(=O)OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
ALDH1A1 P00352 8/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
APP P05067 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1556056 0.87 MAOB (0.54) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL20598466 0.87 MAOB (0.54) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL28416934 0.86 ALDH1A1 (0.57) MAOBALDH1A1HTTTSHRL3MBTL1
SCHEMBL8643962 0.84 MAOB (0.51) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL28409395 0.84 MAOB (0.51) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL5583398 0.84 ALDH1A1 (0.57) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL1759352 0.84 MAOB (0.55) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL1057912 0.84 MAOB (0.51) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL6324821 0.84 MAOB (0.54) MAOBALDH1A1HTTTSHRHPGD
SCHEMBL286962 0.83 MAOB (0.56) MAOBALDH1A1HTTTSHRHPGD

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
US-6899999-B2 Method of manufacturing composite member, photosensitive composition, porous base material, insulating body and composite member KABUSHIKI KAISHA TOSHIBA (JP) 2005-05-31 US disclosed
US-20030022102-A1 Method of manufacturing composite member, photosensitive composition, porous base material, insulating body and composite member KABUSHIKI KAISHA TOSHIBA (JP) 2003-01-30 US disclosed