SCHEMBL3958768

SCHEMBL3958768

CCOC(=O)C(CC(C)C)c1cc(-c2ccccc2)c(OCC2CC2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
PDE4B Q07343 6/20 0.37
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
C5AR1 P21730 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.35
DHODH Q02127 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3961710 0.90 APP (0.46) APPIKBKBCHUKPDE4BPDCD1
SCHEMBL3958453 0.89 APP (0.45) APPIKBKBCHUKPDCD1CD274
SCHEMBL3961703 0.89 APP (0.41) APPIKBKBCHUKPDCD1CD274
SCHEMBL1201622 0.83 APP (0.45) APPIKBKBCHUKPDE4BPDCD1
SCHEMBL3958771 0.82 PDCD1 (0.38) APPIKBKBCHUKPDE4BPDCD1
SCHEMBL1203008 0.77 APP (0.43) APPPDE4BPDE4APDE4CPDE4D
SCHEMBL15111458 0.77 APP (0.53) APPPDCD1CD274CNR2DHODH
SCHEMBL27799350 0.77 APP (0.49) APPCNR2MAPTGPR88
SCHEMBL27799261 0.77 APP (0.53) APPPDCD1CD274CNR2GPR88
SCHEMBL27820362 0.77 APP (0.47) APPCNR2MAPTGPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009036428-A2 1,3,4-TRISUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed