SCHEMBL5797488

SCHEMBL5797488

CCCCOC(=O)[C@@H](C)c1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(O)c(F)c12

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.47

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
SCHEMBL5797485 1.00 PTGS2 (0.47) PTGS2
SCHEMBL5798899 0.94 PTGS2 (0.45) PTGS2
SCHEMBL5798896 0.94 PTGS2 (0.45) PTGS2
SCHEMBL5797673 0.91 PTGS2 (0.43) PTGS2
SCHEMBL5797670 0.91 PTGS2 (0.43) PTGS2
SCHEMBL5798228 0.90 PTGS2 (0.40) PTGS2
SCHEMBL5813255 0.89 PTGS2 (0.39) PTGS2
SCHEMBL5801276 0.89 PTGS2 (0.39) PTGS2
SCHEMBL5813248 0.89 PTGS2 (0.39) PTGS2
SCHEMBL5801273 0.89 PTGS2 (0.39) 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