SCHEMBL5561287

SCHEMBL5561287

Cc1c(C(C)C(=O)OC(C)(C)C)c2c(F)c(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.37
PPARA Q07869 5/20 0.37
HRH3 Q9Y5N1 2/20 0.35
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 2/20 0.35
EPHX2 P34913 1/20 0.35
PTGS2 P35354 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
SCHEMBL5800017 0.91 PPARG (0.37) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL5814046 0.91 HRH3 (0.39) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL5800015 0.91 PPARG (0.37) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL5814051 0.91 HRH3 (0.39) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL5553803 0.89 PPARG (0.42) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL5553733 0.89 PPARG (0.42) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL5554390 0.89 PPARG (0.42) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL5800586 0.89 PPARG (0.38) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL6423534 0.89 PPARG (0.38) PPARGPPARAHRH3AKR1C3AKR1C2
SCHEMBL5797933 0.88 PTGS2 (0.39) PPARGPPARAHRH3AKR1C3AKR1C2

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 4 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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO 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