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Sugi Predict / Compounds / SCHEMBL5800994

SCHEMBL5800994

SCHEMBL5800994

CCC(C)NC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)F)cc2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)NCCO)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.57
▸ PTGS1 P23219 2/20 0.50
▸ HRH4 Q9H3N8 1/20 0.50

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
SCHEMBL5560940 0.94 PTGS2 (0.62) PTGS2
SCHEMBL5553810 0.94 PTGS2 (0.62) PTGS2PTGS1HRH4
SCHEMBL5560295 0.90 PTGS2 (0.54) PTGS2PTGS1HRH4
SCHEMBL5555064 0.88 PTGS2 (0.58) PTGS2PTGS1HRH4
SCHEMBL5558744 0.88 PTGS2 (0.51) PTGS2PTGS1HRH4
SCHEMBL5559389 0.87 PTGS2 (0.51) PTGS2
SCHEMBL5559103 0.87 PTGS2 (0.53) PTGS2PTGS1HRH4
SCHEMBL5554275 0.87 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5560216 0.86 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL5558967 0.86 PTGS2 (0.64) 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