SCHEMBL6936769

SCHEMBL6936769

O=C(O)Cc1cccc(OCCCCOc2ccc(Oc3ccccc3)cc2CC2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.50
PLA2G4B P0C869 2/20 0.47
PPARG P37231 10/20 0.47
PPARA Q07869 7/20 0.47
FFAR1 O14842 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
LTB4R Q15722 1/20 0.42
MGLL Q99685 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 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
SCHEMBL6933038 0.83 PPARD (0.61) PPARDPLA2G4BPPARGPPARA
SCHEMBL6936584 0.82 PLA2G4B (0.59) PPARDPLA2G4BPPARGPPARA
SCHEMBL6935592 0.82 FFAR1 (0.50) PPARDPPARGPPARAFFAR1
SCHEMBL6936611 0.79 PLA2G4B (0.59) PPARDPLA2G4BPPARGPPARAFFAR1
SCHEMBL7911513 0.78 PLA2G4B (0.67) PLA2G4BFFAR1LTB4RCYP4F2CYP4A11
SCHEMBL6936964 0.78 PPARG (0.62) PPARDPLA2G4BPPARGPPARA
SCHEMBL25081990 0.76 PLA2G4B (0.68) PPARDPLA2G4BPPARGPPARAFFAR1
SCHEMBL30278815 0.76 PLA2G4B (0.68) PPARDPLA2G4BPPARGPPARAFFAR1
SCHEMBL3508233 0.75 PLA2G4B (0.56) PLA2G4BPPARGPPARAFFAR1LTB4R
SCHEMBL5207075 0.75 PPARG (0.58) PPARDPPARGPPARA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP claimed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP claimed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed