SCHEMBL3961710

SCHEMBL3961710

COc1cc(OCC2CC2)c(-c2ccccc2)cc1C(CC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.46
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
PDE4B Q07343 4/20 0.39
PDE4A P27815 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
FFAR1 O14842 1/20 0.38
CNR2 P34972 3/20 0.38
C5AR1 P21730 1/20 0.38
IKBKB O14920 2/20 0.38
CHUK O15111 2/20 0.38
GPR88 Q9GZN0 1/20 0.37
FFAR2 O15552 1/20 0.37
EGFR P00533 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL3958768 0.90 APP (0.40) APPPDCD1CD274PDE4BPDE4A
SCHEMBL3958771 0.89 PDCD1 (0.38) APPPDCD1CD274PDE4BPDE4A
SCHEMBL1201823 0.82 APP (0.55) APPPDCD1CD274PDE4BFFAR1
SCHEMBL3958453 0.78 APP (0.45) APPPDCD1CD274CNR2C5AR1
SCHEMBL3961703 0.78 APP (0.41) APPPDCD1CD274FFAR1CNR2
SCHEMBL8031372 0.78 APP (0.49) APPPDE4BPDE4APDE4CPDE4D
SCHEMBL3961706 0.77 APP (0.39) APPPDCD1CD274FFAR1CNR2
SCHEMBL3958456 0.77 APP (0.43) APPPDCD1CD274FFAR1CNR2
SCHEMBL1202937 0.76 APP (0.54) APPPDE4BPDE4APDE4CPDE4D
SCHEMBL15494189 0.76 APP (0.47) APPPDE4BPDE4APDE4CPDE4D

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