SCHEMBL5554445

SCHEMBL5554445

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.37
PPARA Q07869 4/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 2/20 0.37
HRH3 Q9Y5N1 2/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL5560242 0.86 PPARG (0.37) PPARGPPARAAKR1C3AKR1C2
SCHEMBL5799149 0.85 AKR1C3 (0.43) PPARGAKR1C3AKR1C2
SCHEMBL5560554 0.84 HRH3 (0.40) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5559277 0.84 SCN9A (0.37) PPARGPPARAHRH3HSD11B1
SCHEMBL5559328 0.84 HRH3 (0.40) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5553908 0.81 PPARG (0.36) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5553805 0.80 HRH3 (0.35) PPARGAKR1C3AKR1C2HRH3HSD11B1
SCHEMBL6423914 0.80 PPARG (0.42) PPARGPPARAAKR1C3AKR1C2HRH3
SCHEMBL5554448 0.80 AKR1C3 (0.54) PPARGAKR1C3AKR1C2
SCHEMBL5558979 0.80 AKR1C3 (0.39) PPARGPPARAAKR1C3AKR1C2

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