SCHEMBL5800878

SCHEMBL5800878

CC(=O)Oc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)c(F)c12.Cc1c(C(C(=O)O)C(C)(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.35
PPARA Q07869 7/20 0.35
PTGS2 P35354 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 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
SCHEMBL6425785 0.93 PPARG (0.39) PPARGPPARAAKR1C3AKR1C2
SCHEMBL5560242 0.89 PPARG (0.37) PPARGPPARAPTGS2AKR1C3AKR1C2
SCHEMBL5800284 0.87
SCHEMBL6423768 0.82 PPARG (0.40) PPARGPPARAAKR1C3AKR1C2
SCHEMBL5553995 0.82 PPARG (0.41) PPARGPPARAAKR1C3AKR1C2
SCHEMBL5560089 0.82 PPARG (0.41) PPARGPPARAAKR1C3AKR1C2
SCHEMBL5553997 0.82 PPARG (0.41) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6424132 0.81 AKR1C3 (0.41) PPARGPTGS2AKR1C3AKR1C2
SCHEMBL5554496 0.80 PPARG (0.40) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6424987 0.80 PPARG (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed