SCHEMBL5811078

SCHEMBL5811078

CCCC(C(=O)OC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)cc12)c1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2cc(F)c(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARA Q07869 2/20 0.43
AKR1C3 P42330 6/20 0.43
PTGS2 P35354 11/20 0.42
AKR1C2 P52895 3/20 0.40
CNR2 P34972 1/20 0.39

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
SCHEMBL5811083 0.88 AKR1C3 (0.48) PPARGPPARAAKR1C3PTGS2AKR1C2
SCHEMBL6424050 0.87 PPARG (0.46) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6426691 0.87 PPARG (0.46) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6427280 0.82 PPARG (0.43) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6423711 0.82 PPARG (0.43) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6423391 0.82 PPARG (0.46) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6423236 0.82 PPARG (0.46) PPARGPPARAAKR1C3AKR1C2
SCHEMBL6423929 0.81 PPARG (0.42) PPARGPPARAAKR1C3AKR1C2
SCHEMBL5560502 0.81 HRH3 (0.41) PPARGPPARAAKR1C3PTGS2AKR1C2
SCHEMBL5560498 0.81 HRH3 (0.41) PPARGPPARAAKR1C3PTGS2AKR1C2

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