SCHEMBL1972579

SCHEMBL1972579

CC(C)(O)COc1ccccc1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 3/20 0.56
HTT P42858 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
NR1I2 O75469 1/20 0.56
CHRM2 P08172 1/20 0.56
CYP3A4 P08684 1/20 0.56
ADRA2A P08913 1/20 0.56
OPRK1 P41145 1/20 0.56
HTR2B P41595 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
PARP1 P09874 3/20 0.53
KDM4E B2RXH2 2/20 0.53
IRAK4 Q9NWZ3 1/20 0.51
CTNNB1 P35222 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
AKR1C1 Q04828 1/20 0.48

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
SCHEMBL30631752 0.85 MAPT (0.55) MAPTLMNAHTTKMT2AMEN1
SCHEMBL3441526 0.81 HTT (0.54) MAPTLMNAHTTKMT2AMEN1
Acetic Acid SCHEMBL5482846 0.80 HTT (0.52) MAPTLMNAHTTKMT2AMEN1
Ethenzamide SCHEMBL27612766 0.79 MAPT (0.68) MAPTLMNAHTTKMT2AMEN1
Ethenzamide SCHEMBL25624 0.79 MAPT (0.68) MAPTLMNAHTTKMT2AMEN1
SCHEMBL31208540 0.78 SIRT3 (0.49) KDM4E
SCHEMBL27537822 0.78 MAPT (0.62) MAPTLMNAHTTKMT2AMEN1
SCHEMBL11547493 0.77 KDM4E (0.66) MAPTLMNAHTTKMT2AMEN1
Ethenzamide SCHEMBL22163775 0.77 MAPT (0.66) MAPTLMNAHTTKMT2AMEN1
Ethenzamide SCHEMBL4379591 0.77 MAPT (0.66) MAPTLMNAHTTKMT2AMEN1

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-2334646-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-06-22 EP disclosed
WO-2010033543-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-25 WO disclosed