SCHEMBL6935918

SCHEMBL6935918

CCCc1c(OCCCOc2ccc(OCC(=O)OC)cc2)ccc(C(C)=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 1.00
PPARG P37231 3/20 1.00
PPARA Q07869 3/20 1.00
LMNA P02545 1/20 0.80
CYP1A2 P05177 1/20 0.80
MAPT P10636 1/20 0.80
CYP2C9 P11712 1/20 0.80
NFKB1 P19838 1/20 0.80
BLM P54132 1/20 0.80
GRM2 Q14416 5/20 0.69
CYSLTR2 Q9NS75 11/20 0.68
CYSLTR1 Q9Y271 11/20 0.68

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
SCHEMBL10691908 0.94 PPARG (0.88) PPARDPPARGPPARALMNACYP1A2
SCHEMBL10688244 0.89 PPARG (0.80) PPARDPPARGPPARALMNACYP1A2
SCHEMBL2067483 0.89 PPARG (1.00) PPARDPPARGPPARALMNACYP1A2
SCHEMBL29369990 0.89 PPARG (1.00) PPARDPPARGPPARALMNACYP1A2
SCHEMBL10685393 0.88 PPARG (0.78) PPARDPPARGPPARALMNACYP1A2
SCHEMBL10918614 0.86 PPARG (0.76) PPARDPPARGPPARALMNACYP1A2
SCHEMBL10897974 0.86 CYSLTR2 (0.83) PPARDPPARGPPARALMNACYP1A2
SCHEMBL5638968 0.85 PPARG (0.77) PPARDPPARGPPARALMNACYP1A2
SCHEMBL10556919 0.85 PPARG (0.77) PPARDPPARGPPARALMNACYP1A2
SCHEMBL6244957 0.84 GRM2 (0.80) PPARDPPARGPPARALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1997028149-A1 METHOD FOR RAISING HDL CHOLESTEROL LEVELS MERCK & CO., INC. (US) 1997-08-07 WO disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed