SCHEMBL6936611

SCHEMBL6936611

CCCOc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(CC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.59
PPARG P37231 4/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
PTPN11 Q06124 2/20 0.50
KMT2A Q03164 1/20 0.48
LTB4R Q15722 4/20 0.48
LTB4R2 Q9NPC1 3/20 0.48
FFAR1 O14842 1/20 0.46
NR1H3 Q13133 1/20 0.46
LTA4H P09960 1/20 0.46

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 0.87 PPARD (0.61) PLA2G4BPPARGPPARDPPARA
SCHEMBL6936584 0.86 PLA2G4B (0.59) PLA2G4BPPARGPPARDPPARAPTPN11
SCHEMBL10455393 0.83 PLA2G4B (0.67) PLA2G4BPPARGPPARDPPARAPTPN11
SCHEMBL7911513 0.82 PLA2G4B (0.67) PLA2G4BPTPN11LTB4RLTB4R2FFAR1
SCHEMBL5432048 0.82 PLA2G4B (0.78) PLA2G4BPPARGPPARAPTPN11NR1H3
SCHEMBL6936964 0.81 PPARG (0.62) PLA2G4BPPARGPPARDPPARA
SCHEMBL6936213 0.81 FFAR1 (0.54) PPARGPPARDPPARAPTPN11LTB4R
SCHEMBL1195580 0.80 PLA2G4B (0.81) PLA2G4BPPARGPPARAPTPN11KMT2A
SCHEMBL9717034 0.79 PLA2G4B (0.83) PLA2G4BPPARGPPARAPTPN11
SCHEMBL31473502 0.79 PLA2G4B (0.83) PLA2G4BPPARGPPARAPTPN11

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