SCHEMBL9318883

SCHEMBL9318883

CCCCCCCCCCC(Sc1ccccc1OCCCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.52
ALOX5 P09917 10/20 0.52
PTGES O14684 9/20 0.52
PPARA Q07869 8/20 0.52
CYSLTR2 Q9NS75 2/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
PLA2G4B P0C869 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9318904 0.88 PPARG (0.49) PPARGALOX5PTGESPPARAPLA2G4B
SCHEMBL4265985 0.79 PPARG (0.62) PPARGALOX5PTGESPPARA
SCHEMBL9318980 0.77 PPARG (0.45) PPARGALOX5PTGESPPARACYSLTR2
SCHEMBL9318310 0.77 CYSLTR2 (0.51) PPARGALOX5PTGESPPARACYSLTR2
SCHEMBL9359601 0.77 NPSR1 (0.63) CYSLTR2CYSLTR1PLA2G4BALDH1A1NPSR1
SCHEMBL7073696 0.76 PPARG (0.50) PPARGALOX5PTGESPPARA
SCHEMBL14155870 0.75 PPARG (0.44) PPARGALOX5PTGESPPARA
SCHEMBL9319494 0.74 CYSLTR2 (0.48) PPARGPPARACYSLTR2CYSLTR1PLA2G4B
SCHEMBL7511090 0.74 MMP9 (0.48) PPARGALOX5PTGES
SCHEMBL9099026 0.74 PPARG (0.64) PPARGALOX5PTGESPPARA

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
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed