SCHEMBL5559446

SCHEMBL5559446

CC(=O)Oc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(C3CCC3)c(O)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 10/20 0.39
SCN9A Q15858 1/20 0.39
HSD11B1 P28845 1/20 0.37
MGLL Q99685 1/20 0.36
PPARG P37231 1/20 0.36
HCRTR2 O43614 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL5558909 0.98 MAPK7 (0.39) MAPK7SCN9AHSD11B1MGLLPPARG
SCHEMBL5560242 0.86 PPARG (0.37) PPARG
SCHEMBL5553908 0.81 PPARG (0.36) PPARG
SCHEMBL5559277 0.80 SCN9A (0.37) MAPK7SCN9AHSD11B1MGLLPPARG
SCHEMBL5554445 0.80 PPARG (0.37) HSD11B1PPARG
SCHEMBL5560793 0.80 HDAC3 (0.36) PPARG
SCHEMBL5553749 0.79 MAPK7 (0.41) MAPK7PPARGHCRTR2PDE4BPDE4D
SCHEMBL5553805 0.78 HRH3 (0.35) HSD11B1MGLLPPARGHCRTR2
SCHEMBL5559111 0.77 PPARG (0.40) PPARGPTGDR2
SCHEMBL5800878 0.77 PPARG (0.35) PPARG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO disclosed