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SCHEMBL5809343

SCHEMBL5809343

CCCC(C(=O)OC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)c(F)c2)c2ccc(O)cc12)c1c(C)n(C(=O)c2ccc(Cl)c(F)c2)c2ccc(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 18/20 0.48
▸ PTGS1 P23219 4/20 0.48
▸ AKR1C3 P42330 2/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ AKR1C2 P52895 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GLO1 Q04760 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL5809347 0.87 PTGS1 (0.58) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL6452264 0.85 PTGS2 (0.46) PTGS2PTGS1AKR1C3AKR1C2PKM
SCHEMBL6426822 0.85 PTGS2 (0.46) PTGS2PTGS1AKR1C3AKR1C2PKM
SCHEMBL5553830 0.81 PTGS1 (0.54) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL5553833 0.80 PTGS2 (0.48) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL6425478 0.80 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6461243 0.80 PTGS2 (0.45) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6452544 0.79 PTGS2 (0.48) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL6423123 0.79 PTGS2 (0.48) PTGS2PTGS1AKR1C3AKR1C2GLO1
SCHEMBL6465809 0.79 PTGS2 (0.44) PTGS2PTGS1AKR1C3AKR1C2

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