SCHEMBL5553908

SCHEMBL5553908

CCCc1cc2c(c(F)c1O)c(OC(C)=O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.36
PPARA Q07869 4/20 0.36
HRH3 Q9Y5N1 2/20 0.36
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 3/20 0.35
PTGS2 P35354 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
SCHEMBL5560793 0.95 HDAC3 (0.36) PPARGPPARAPTGS2
SCHEMBL5560242 0.87 PPARG (0.37) PPARGPPARAAKR1C3AKR1C2PTGS2
SCHEMBL5558909 0.81 MAPK7 (0.39) PPARGPTGS2
SCHEMBL5559446 0.81 MAPK7 (0.39) PPARG
SCHEMBL5559111 0.81 PPARG (0.40) PPARGPPARAAKR1C3AKR1C2PTGS2
SCHEMBL5554445 0.81 PPARG (0.37) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL5553805 0.78 HRH3 (0.35) PPARGHRH3AKR1C3AKR1C2PTGS2
SCHEMBL5800878 0.77 PPARG (0.35) PPARGPPARAAKR1C3AKR1C2PTGS2
SCHEMBL5560446 0.76 HRH3 (0.39) PPARGPPARAHRH3
SCHEMBL5558979 0.74 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