SCHEMBL5801130

SCHEMBL5801130

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

nearest known ligand 0.51

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
SCHEMBL5801127 1.00 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5800755 0.94 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL5800757 0.94 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL5808065 0.92 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5808062 0.92 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5799056 0.91 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL5799060 0.91 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6425681 0.89 PTGS2 (0.40) PTGS2
SCHEMBL5813475 0.89 PTGS2 (0.40) PTGS2
SCHEMBL5813479 0.89 PTGS2 (0.40) PTGS2

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