SCHEMBL4301066

SCHEMBL4301066

COC(=O)C(Cc1ccccc1)OC(=O)Cc1ccc(SCc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.78
PPARA Q07869 7/20 0.78
SLC6A4 P31645 1/20 0.48
TSHR P16473 1/20 0.46
KLK7 P49862 3/20 0.43
HAO1 Q9UJM8 1/20 0.43
FFAR1 O14842 1/20 0.42
MAPK1 P28482 1/20 0.42
ACE P12821 1/20 0.40

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
SCHEMBL4301070 0.88 PPARG (0.79) PPARGPPARASLC6A4TSHRFFAR1
SCHEMBL978223 0.88 PPARG (1.00) PPARGPPARA
SCHEMBL10688303 0.82 FFAR1 (0.55) PPARGPPARASLC6A4TSHRHAO1
SCHEMBL977816 0.78 PPARG (1.00) PPARGPPARA
SCHEMBL27808291 0.76 PPARG (0.53) PPARGPPARATSHRKLK7ACE
SCHEMBL978222 0.73 PPARG (0.62) PPARGPPARATSHRKLK7ACE
SCHEMBL27002598 0.72 NPY1R (0.55) PPARGPPARASLC6A4
SCHEMBL9726215 0.72 PPARG (0.48) PPARGPPARA
SCHEMBL7152142 0.72 SLC6A4 (0.53) PPARGPPARASLC6A4HAO1
SCHEMBL10680432 0.71 FFAR1 (0.50) PPARGPPARASLC6A4HAO1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125711-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE Albireo Ab (SE) 2009-12-02 EP claimed
WO-2008108735-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2008-09-12 WO claimed
EP-2125711-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE Albireo Ab (SE) 2009-12-02 EP disclosed
WO-2008108735-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2008-09-12 WO disclosed