SCHEMBL3944869

SCHEMBL3944869

N#CCC(=O)CCc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
FFAR1 O14842 3/20 0.36
FFAR4 Q5NUL3 1/20 0.36
DAO P14920 2/20 0.34
ACLY P53396 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
DPP4 P27487 1/20 0.31
MCL1 Q07820 1/20 0.31
IAPP P10997 1/20 0.31
MAPK8 P45983 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL3946037 0.83 TAAR1 (0.46) CES2CES1FFAR1DAO
SCHEMBL3940845 0.82 FFAR1 (0.51) FFAR1FFAR4SLC5A1SLC5A2
SCHEMBL23662782 0.76 IAPP (0.53) CES2CES1DAOSLC5A1SLC5A2
SCHEMBL13574164 0.75 F2RL1 (0.46) DAO
SCHEMBL925108 0.74 KEAP1 (0.55) FFAR1FFAR4MCL1
SCHEMBL3945867 0.73 FFAR1 (0.42) CES2CES1FFAR1FFAR4DAO
SCHEMBL1448093 0.72 KEAP1 (0.52) FFAR1FFAR4ACLY
SCHEMBL3937604 0.71 FFAR1 (0.46) FFAR1
SCHEMBL17967141 0.71 PLAAT3 (0.45) FFAR1
SCHEMBL5644564 0.71 FFAR1 (0.48) CES2CES1FFAR1FFAR4DAO

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-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed