SCHEMBL5812592

SCHEMBL5812592

Cc1c(CC(=O)NC(C)(C)C(=O)O)c2c(Cl)c(O)ccc2n1C(=O)c1ccc(Cl)cc1.Cc1c(CC(=O)NC(C)C(=O)O)c2c(Cl)c(O)ccc2n1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.49

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
SCHEMBL5560565 0.93 PTGS2 (0.55) PTGS2
SCHEMBL5555074 0.92 PTGS2 (0.49) PTGS2
SCHEMBL5553747 0.85 PTGS2 (0.53) PTGS2
SCHEMBL5559423 0.84 PTGS2 (0.54) PTGS2
SCHEMBL6425857 0.83 AKR1C3 (0.48) PTGS2
SCHEMBL5814072 0.82 PTGS2 (0.54) PTGS2
SCHEMBL5558622 0.82 PTGS2 (0.65) PTGS2
SCHEMBL5554565 0.81 PTGS2 (0.60) PTGS2
SCHEMBL5560413 0.81 PTGS2 (0.54) PTGS2
SCHEMBL5560229 0.81 PTGS2 (0.54) 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