SCHEMBL8069732

SCHEMBL8069732

CC(F)Oc1ccc(CO)cc1-c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.52
PDE4D Q08499 2/20 0.45
CHRM3 P20309 2/20 0.40
CTSA P10619 4/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
SLC6A9 P48067 1/20 0.38
TTR P02766 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
FYN P06241 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
SCHEMBL3465815 0.90 PDE4B (0.63) PDE4BPDE4DCHRM3CTSAMRGPRX4
SCHEMBL13578425 0.87 PDE4B (0.52) PDE4BPDE4DSLC6A9TAAR1DHODH
SCHEMBL29406552 0.82 PDE4D (0.61) PDE4BPDE4DCHRM3CTSAMRGPRX4
SCHEMBL13578468 0.82 PDE4D (0.61) PDE4BPDE4DCHRM3CTSAMRGPRX4
SCHEMBL3794103 0.79 PDE4D (0.52) PDE4BPDE4DCHRM3CTSAMRGPRX4
SCHEMBL3790138 0.76 PDE4B (0.63) PDE4BPDE4DSLC6A9TAAR1
SCHEMBL8063138 0.76 PDE4B (0.63) PDE4BPDE4DSLC6A9TAAR1
SCHEMBL3796788 0.74 PDE4B (0.54) PDE4BPDE4DSLC6A9DHODH
SCHEMBL31297174 0.73 PDE4B (0.59) PDE4BPDE4DTAAR1DHODH
SCHEMBL15195923 0.71 PDE4B (0.53) PDE4BPDE4DCTSA

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 WO disclosed