SCHEMBL3958771

SCHEMBL3958771

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
APP P05067 1/20 0.37
IKBKB O14920 2/20 0.37
CHUK O15111 2/20 0.37
PDE4B Q07343 4/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
DPP4 P27487 1/20 0.36
FFAR1 O14842 1/20 0.35
C5AR1 P21730 1/20 0.35
CNR2 P34972 1/20 0.35
DHODH Q02127 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
RXRA P19793 1/20 0.35
ACACB O00763 1/20 0.34
EGFR P00533 1/20 0.34

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 0.89 APP (0.46) PDCD1CD274APPIKBKBCHUK
SCHEMBL3958456 0.89 APP (0.43) PDCD1CD274APPIKBKBCHUK
SCHEMBL3961706 0.89 APP (0.39) PDCD1CD274APPIKBKBCHUK
SCHEMBL1201623 0.83 APP (0.44) PDCD1CD274APPIKBKBCHUK
SCHEMBL3958768 0.82 APP (0.40) PDCD1CD274APPIKBKBCHUK
SCHEMBL1203009 0.79 APP (0.44) APPPDE4BPDE4APDE4CPDE4D
SCHEMBL1201792 0.76 AKR1C3 (0.40) APPFFAR1ACACB
SCHEMBL1202689 0.76 APP (0.47) APPPDE4BPDE4APDE4CPDE4D
SCHEMBL1202343 0.76 APP (0.49) APPCNR2
SCHEMBL1202952 0.76 APP (0.45) APPIKBKBCHUKPDE4BPDE4A

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