SCHEMBL5808065

SCHEMBL5808065

CCCCOC(=O)[C@@H](C)c1c(C)n(C(=O)c2ccc(Cl)c(F)c2)c2ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.44
PTGS1 P23219 3/20 0.42

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
SCHEMBL5808062 1.00 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5820127 0.95 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL5800571 0.92 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL5801130 0.92 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5801127 0.92 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5800568 0.92 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL5813346 0.89 PTGS2 (0.40) PTGS2
SCHEMBL5813349 0.89 PTGS2 (0.40) PTGS2
SCHEMBL5797351 0.88 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5798916 0.88 PTGS2 (0.56) PTGS2PTGS1

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