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SCHEMBL5800052

SCHEMBL5800052

Cc1c(C(C)C(=O)OC2CCCC2)c2c(F)c(O)ccc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ PDE4B Q07343 6/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ PPARG P37231 6/20 0.36
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ PPARA Q07869 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ EPHX2 P34913 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
SCHEMBL5801148 0.98 HSD11B1 (0.38) PTGS2HSD11B1PDE4BPDE4DPPARG
SCHEMBL5559074 0.88 PTGS2 (0.40) PTGS2HSD11B1PDE4BPDE4DPPARG
SCHEMBL5798701 0.88 PTGS2 (0.45) PTGS2
SCHEMBL5554125 0.87 PTGS2 (0.38) PTGS2HSD11B1PDE4BPDE4DPPARG
SCHEMBL5559333 0.86 PTGS2 (0.43) PTGS2
SCHEMBL5800015 0.86 PPARG (0.37) PTGS2PPARGPPARAHRH3EPHX2
SCHEMBL5561287 0.86 PPARG (0.37) PTGS2PPARGPPARAHRH3EPHX2
SCHEMBL5814051 0.86 HRH3 (0.39) PTGS2PPARGPPARAHRH3EPHX2
SCHEMBL5800017 0.86 PPARG (0.37) PTGS2PPARGPPARAHRH3EPHX2
SCHEMBL5814046 0.86 HRH3 (0.39) PTGS2PPARGPPARAHRH3EPHX2

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