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Proglumetacin

Proglumetacin

SCHEMBL5482765

CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1.COc1ccc2c(c1)Sc1ccc(C(C)C(=O)O)cc1N2C

nearest known ligand 0.47

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.47
▸ HTR1A P08908 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ GLO1 Q04760 1/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
Proglumetacin SCHEMBL29384391 0.89 PTGS2 (0.59) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL27106 0.89 PTGS2 (0.59) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL1650599 0.87 PTGS2 (0.56) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL19642980 0.87 PTGS2 (0.56) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL99165 0.87 PTGS2 (0.56) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL2070226 0.86 PTGS2 (0.55) PTGS2PTGS1
Proglumetacin SCHEMBL28086382 0.86 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5077578 0.83 PTGS2 (0.57) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL4094289 0.81 PTGS2 (0.52) PTGS2
Proglumetacin SCHEMBL13724384 0.81 PTGS2 (0.49) PTGS2HTR1APKMPTGS1GLO1

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-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 — — WO disclosed