SCHEMBL7680940

SCHEMBL7680940

CCCCN1C(=O)C(F)C(=O)N(CCCC)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
MGLL Q99685 2/20 0.39
FAAH O00519 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
CYP19A1 P11511 2/20 0.37
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
CTRC Q99895 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 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
SCHEMBL31681885 0.78 SMN1; SMN2 (0.43) SMN1; SMN2GAATP53PDE4APDE4B
SCHEMBL7674510 0.75 PDE4A (0.42) SMN1; SMN2GAATP53PDE4APDE4B
SCHEMBL11383456 0.75 ELANE (0.44) SMN1; SMN2GAATP53PDE4APDE4B
SCHEMBL11473997 0.73 GAA (0.47) SMN1; SMN2GAATP53PDE4APDE4B
SCHEMBL7680954 0.73 ALDH1A1 (0.38) TP53TDP1KMT2AALDH1A1
SCHEMBL11482817 0.72 GAA (0.50) SMN1; SMN2GAATP53PDE4APDE4B
SCHEMBL12206854 0.72 GAA (0.41) SMN1; SMN2GAATP53ELANEABL1
SCHEMBL27722450 0.72 GAA (0.46) SMN1; SMN2GAATP53PDE4APDE4B
SCHEMBL14998121 0.71 SMN1; SMN2 (0.53) SMN1; SMN2GAATP53PDE4APDE4B
SCHEMBL7680255 0.71 PDE4A (0.37) SMN1; SMN2GAATP53PDE4APDE4B

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
US-6365068-B1 IN SOLVENT HYDRO-QUEBEC (CA) 2002-04-02 US disclosed
US-6171522-B1 Heterocyclic aromatic anion salts, and their uses as ionic conducting materials Hydro-Qu{acute over (e)}bec (CA) 2001-01-09 US disclosed