SCHEMBL5809707

SCHEMBL5809707

COc1cc2c(C(C)C(=O)O)c(C)n(C(=O)c3ccc(OC(F)F)cc3)c2cc1Cl.Cc1c(CC(=O)NCCO)c2cc(O)c(Cl)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.51
PTGS1 P23219 4/20 0.48
HRH4 Q9H3N8 1/20 0.46
PPARG P37231 6/20 0.44
PPARA Q07869 2/20 0.43

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
SCHEMBL5813244 0.88 PTGS2 (0.60) PTGS2PTGS1HRH4
SCHEMBL5813218 0.87 PTGS2 (0.54) PTGS2PTGS1HRH4
SCHEMBL5553683 0.86 PTGS2 (0.66) PTGS2PTGS1HRH4
SCHEMBL5558243 0.86 PTGS2 (0.66) PTGS2PTGS1HRH4
SCHEMBL5812264 0.86 PTGS2 (0.51) PTGS2PTGS1HRH4
SCHEMBL5808118 0.85 PTGS2 (0.51) PTGS2PTGS1HRH4
SCHEMBL5808445 0.85 PTGS2 (0.57) PTGS2PTGS1HRH4
SCHEMBL5813929 0.85 PTGS2 (0.51) PTGS2PTGS1HRH4
SCHEMBL6426776 0.85 PTGS2 (0.63) PTGS2PTGS1HRH4
SCHEMBL5554433 0.85 PTGS2 (0.63) 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