SCHEMBL5593005

SCHEMBL5593005

Cc1cccnc1CC(=O)Cc1coc(-c2ccc(OC(C)C)c(OC(F)F)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 3/20 0.34
S1PR5 Q9H228 3/20 0.34
LMNA P02545 1/20 0.33
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE4D Q08499 2/20 0.32
SYK P43405 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL4639469 0.96 LMNA (0.35) S1PR1LMNAPPARGPPARAADORA2A
SCHEMBL4639667 0.91 S1PR1 (0.37) S1PR1S1PR3LMNA
SCHEMBL4640553 0.90 FPR2 (0.34) PDE4DPDE4APDE4BPDE4C
SCHEMBL5592943 0.90 LMNA (0.34) LMNAPPARGPPARAADORA2AADORA1
SCHEMBL4639491 0.88 PDE4D (0.34) S1PR1LMNAADORA2AADORA1PDE4D
SCHEMBL4641206 0.88 PARP1 (0.31) LMNAADORA2AADORA1PDE4D
SCHEMBL4639663 0.87 ADORA2A (0.30) LMNAADORA2AADORA1
SCHEMBL4639813 0.83 S1PR1 (0.43) S1PR1S1PR3LMNA
SCHEMBL4277707 0.82 S1PR1 (0.37) S1PR1S1PR3S1PR5PPARGPPARA
SCHEMBL4271374 0.82 S1PR1 (0.37) S1PR1S1PR3S1PR5PPARGPPARA

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-2007058338-A9 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2007-11-01 WO disclosed