Sugi Predict

Sugi Predict / Compounds / SCHEMBL5812709

SCHEMBL5812709

SCHEMBL5812709

CCCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)F)cc2)c2cc(Cl)c(OC)cc12.COc1cc2c(CC(=O)NC(C)C)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.57
▸ PTGS1 P23219 4/20 0.57
▸ HRH4 Q9H3N8 1/20 0.51

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
SCHEMBL5560648 0.96 PTGS2 (0.60) PTGS2PTGS1HRH4
SCHEMBL5554031 0.94 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5560469 0.91 PTGS2 (0.63) PTGS2PTGS1HRH4
SCHEMBL5558243 0.90 PTGS2 (0.66) PTGS2PTGS1HRH4
SCHEMBL5809345 0.90 PTGS2 (0.59) PTGS2PTGS1HRH4
SCHEMBL5560198 0.90 PTGS2 (0.60) PTGS2PTGS1HRH4
SCHEMBL5559093 0.88 PTGS2 (0.61) PTGS2PTGS1HRH4
SCHEMBL5553846 0.88 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL5560295 0.87 PTGS2 (0.54) PTGS2PTGS1HRH4
SCHEMBL5813394 0.87 PTGS2 (0.61) PTGS2PTGS1HRH4

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