SCHEMBL3894010

SCHEMBL3894010

CCCc1c(OCCCOc2ccc(CC(=O)O)cc2)ccc(C(C)=O)c1O

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.80
PPARD Q03181 3/20 0.80
PPARA Q07869 3/20 0.80
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 4/20 0.72
CYSLTR2 Q9NS75 13/20 0.68
CYSLTR1 Q9Y271 13/20 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
SCHEMBL6244980 0.98 GRM2 (0.76) PPARGPPARDPPARALMNACYP1A2
SCHEMBL6937972 0.94 PPARG (0.71) PPARGPPARDPPARALMNACYP1A2
SCHEMBL10952734 0.91 CYSLTR2 (0.77) PPARGPPARDPPARALMNACYP1A2
SCHEMBL5128356 0.90 PPARG (0.75) PPARGPPARDPPARALMNACYP1A2
Methane SCHEMBL10959961 0.90 CYSLTR2 (0.75) PPARGPPARDPPARALMNACYP1A2
SCHEMBL6444659 0.89 PPARG (0.77) PPARGPPARDPPARALMNACYP1A2
SCHEMBL2067483 0.89 PPARG (1.00) PPARGPPARDPPARALMNACYP1A2
SCHEMBL29369990 0.89 PPARG (1.00) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11023228 0.89 PPARG (0.69) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11044280 0.87 CYSLTR2 (0.78) PPARGPPARDPPARALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023907-B1 MEDICINAL COMPOSITIONS WITH CHOLESTEROL-LOWERING EFFECT ASTELLAS PHARMA INC (JP) 2009-01-21 EP claimed
US-20080287544-A1 Method for Screening Substance by Measuring PPAR DELTA Activating Effect and Agent TEIJIN LIMITED (JP) 2008-11-20 US claimed
US-20040265817-A1 Method of selecting substance characterized by assaying ppard activating effect and drug Outdoor Wireless Networks LLC 2004-12-30 US claimed
EP-1416273-A1 METHOD OF SELECTING SUBSTANCE CHARACTERIZED BY ASSAYING PPARD ACTIVATING EFFECT AND DRUG TEIJIN LIMITED (JP) 2004-05-06 EP claimed
EP-1023907-A1 MEDICINAL COMPOSITIONS WITH CHOLESTEROL-LOWERING EFFECT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-08-02 EP claimed
EP-1416273-B1 METHOD OF SELECTING SUBSTANCE CHARACTERIZED BY ASSAYING PPARD ACTIVATING EFFECT AND DRUG TEIJIN LTD (JP) 2009-11-11 EP disclosed
EP-1023907-B1 MEDICINAL COMPOSITIONS WITH CHOLESTEROL-LOWERING EFFECT ASTELLAS PHARMA INC (JP) 2009-01-21 EP disclosed
US-20080287544-A1 Method for Screening Substance by Measuring PPAR DELTA Activating Effect and Agent TEIJIN LIMITED (JP) 2008-11-20 US disclosed
US-7396642-B2 Methods of screening for a compound that enhances thermogenesis TEIJIN LIMITED (JP) 2008-07-08 US disclosed
US-20040265817-A1 Method of selecting substance characterized by assaying ppard activating effect and drug Outdoor Wireless Networks LLC 2004-12-30 US disclosed
EP-1416273-A1 METHOD OF SELECTING SUBSTANCE CHARACTERIZED BY ASSAYING PPARD ACTIVATING EFFECT AND DRUG TEIJIN LIMITED (JP) 2004-05-06 EP disclosed
US-6300364-B1 FOR DECREASING LOW DENSITY LIPOPROTEIN CHOLESTEROL LEVEL YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-1023907-A1 MEDICINAL COMPOSITIONS WITH CHOLESTEROL-LOWERING EFFECT YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-08-02 EP disclosed