SCHEMBL7918176

SCHEMBL7918176

COc1ccc(Cc2ccc(OC(N)=O)cc2)c(F)c1-c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.48
FFAR1 O14842 2/20 0.39
FBP1 P09467 1/20 0.38
SNCA P37840 1/20 0.38
PDE4B Q07343 3/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7918181 0.91 PDE4D (0.46) PDE4DFFAR1FBP1SNCAPDE4B
SCHEMBL3790847 0.85 PDE4D (0.68) PDE4DFBP1SNCAPDE4BALDH1A1
SCHEMBL4326850 0.85 TAAR1 (0.47) PDE4DSNCAPDE4BSMN1; SMN2
SCHEMBL7911734 0.84 PDE4D (0.44) PDE4DFBP1SNCAPDE4BMEN1
SCHEMBL3791461 0.84 PDE4D (0.44) PDE4DSNCAPDE4BSMN1; SMN2
SCHEMBL3467080 0.82 PDE4B (0.42) PDE4DFBP1SNCAPDE4BSMN1; SMN2
SCHEMBL3791661 0.82 PDE4D (0.44) PDE4DFBP1PDE4B
SCHEMBL8057832 0.81 PDE4D (0.49) PDE4DFBP1SNCAPDE4BALDH1A1
SCHEMBL4326854 0.81 PDE4D (0.48) PDE4DFBP1SNCAPDE4BALDH1A1
SCHEMBL4326556 0.80 PDE4B (0.41) PDE4DSNCAPDE4BALDH1A1CYP3A4

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-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed