SCHEMBL3875780

SCHEMBL3875780

[CH2]/C=C(\O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
AKT1 P31749 1/20 0.44
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
CES1 P23141 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CES2 O00748 2/20 0.41
TSHR P16473 2/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 4/20 0.40

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
SCHEMBL496556 0.79 AKT1 (0.46) NFE2L2CA12CA1CA2CA9
SCHEMBL1173621 0.74 AKT1 (0.42) NFE2L2CA12CA1CA2CA9
SCHEMBL11751987 0.73 NFE2L2 (0.50) NFE2L2CA12CA1CA2CA9
SCHEMBL3412775 0.73 NFE2L2 (0.50) NFE2L2CA12CA1CA2CA9
SCHEMBL97893 0.73 NFE2L2 (0.50) NFE2L2CA12CA1CA2CA9
SCHEMBL3887848 0.73 NFE2L2 (0.50) NFE2L2CA12CA1CA2CA9
SCHEMBL2398726 0.72 KDM1A (0.50) AKT1MAPTMEN1KMT2ACES1
SCHEMBL3852047 0.72 MEN1 (0.44) CA12CA1CA2CA9AKT1
SCHEMBL1792813 0.72 AKT1 (0.41) NFE2L2CA12CA1CA2CA9
SCHEMBL5982601 0.72 BLM (0.46) CA12CA1CA2CA9AKT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046110-A2 GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA Washington State University (US) 2009-04-15 EP disclosed
WO-2008005631-A2 GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA WASHINGTON STATE UNIVERSITY (US) 2008-01-10 WO disclosed
EP-0886644-A4 LONG WAVELENGTH ENGINEERED FLUORESCENT PROTEINS OREGON STATE (US) 2000-01-19 EP disclosed
EP-0886644-A1 LONG WAVELENGTH ENGINEERED FLUORESCENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-30 EP disclosed
WO-1998006737-A1 LONG WAVELENGTH ENGINEERED FLUORESCENT PROTEINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-02-19 WO disclosed