SCHEMBL5824246

SCHEMBL5824246

Cc1c(C(C)C(=O)OC(C)(C)C)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
PTGS2 P35354 6/20 0.33
RORC P51449 1/20 0.33
PTGS1 P23219 1/20 0.32
SRC P12931 2/20 0.32
PRKACA P17612 2/20 0.32
PRKACG P22612 2/20 0.32
PRKACB P22694 2/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
ABCB1 P08183 1/20 0.31

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
SCHEMBL5797453 0.94 APP (0.37) APPPTGS2PTGS1SRCPRKACA
SCHEMBL5798692 0.91 APP (0.37) APPPTGS2SRCPRKACAPRKACG
SCHEMBL5809014 0.90 PTGS2 (0.42) APPPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5809718 0.89 PTGS2 (0.36) PTGS2RORCPTGS1AKR1C3AKR1C2
SCHEMBL5809713 0.89 PTGS2 (0.36) PTGS2RORCPTGS1AKR1C3AKR1C2
SCHEMBL5822629 0.89 PTGS2 (0.42) APPPTGS2RORCPTGS1AKR1C3
SCHEMBL5549724 0.88 PTGS2 (0.43) APPPTGS2RORCPTGS1SRC
SCHEMBL5562383 0.88 PTGS2 (0.43) APPPTGS2RORCPTGS1SRC
SCHEMBL5554383 0.88 PTGS2 (0.43) APPPTGS2RORCPTGS1SRC
SCHEMBL5814225 0.88 APP (0.39) APPPTGS2SRC

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