SCHEMBL6862000

SCHEMBL6862000

CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(C(CC)=NO)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 1.00
PPARD Q03181 10/20 1.00
PPARA Q07869 10/20 1.00
NR1H2 P55055 2/20 0.57
NR1H3 Q13133 2/20 0.57
CYSLTR2 Q9NS75 9/20 0.46
CYSLTR1 Q9Y271 9/20 0.46
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL6861995 1.00 PPARG (1.00) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6938524 0.94 PPARG (0.89) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6938540 0.94 PPARG (0.89) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6937815 0.94 PPARG (0.88) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6934092 0.93 PPARG (0.86) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6935493 0.92 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6936719 0.92 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6938779 0.92 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6938775 0.92 PPARG (0.85) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6933836 0.91 PPARG (0.84) PPARGPPARDPPARANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040171692-A1 Modulation of bone formation ANDREW SCUTT (GB) 2004-09-02 US claimed
JP-2003522787-A 2003-07-29 JP claimed
US-20030139372-A1 Modulation of bone formation UNIVERSITY OF SHEFFIELD (GB) 2003-07-24 US claimed
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP claimed
EP-1259233-A1 MODULATION OF BONE FORMATION THE UNIVERSITY OF SHEFFIELD (GB) 2002-11-27 EP claimed
WO-2001060355-A1 MODULATION OF BONE FORMATION UNIVERSITY OF SHEFFIELD (GB) 2001-08-23 WO 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
US-20040171692-A1 Modulation of bone formation ANDREW SCUTT (GB) 2004-09-02 US disclosed
US-20030139372-A1 Modulation of bone formation UNIVERSITY OF SHEFFIELD (GB) 2003-07-24 US disclosed
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