SCHEMBL4301070

SCHEMBL4301070

COC(=O)C(Cc1ccccc1)OC(=O)Cc1cccc(SCc2ccccc2)c1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.79
PPARA Q07869 11/20 0.79
SLC7A5 Q01650 1/20 0.42
TSHR P16473 1/20 0.41
SLC6A4 P31645 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPK1 P28482 1/20 0.40
ACE P12821 1/20 0.39

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
SCHEMBL977816 0.89 PPARG (1.00) PPARGPPARA
SCHEMBL4301066 0.88 PPARG (0.78) PPARGPPARATSHRSLC6A4FFAR1
SCHEMBL23012852 0.83 PPARG (0.55) PPARGPPARASLC7A5TSHRFFAR1
SCHEMBL29691478 0.83 PPARG (0.55) PPARGPPARASLC7A5TSHRFFAR1
SCHEMBL978223 0.78 PPARG (1.00) PPARGPPARA
SCHEMBL6969028 0.75 PPARG (0.49) PPARGPPARAFFAR1MAPK1
SCHEMBL27808291 0.74 PPARG (0.53) PPARGPPARATSHRACE
SCHEMBL27786423 0.74 PPARG (0.76) PPARGPPARA
SCHEMBL10718327 0.73 AKR1B1 (0.53) PPARGPPARATSHRFFAR1
SCHEMBL977815 0.72 PPARG (0.60) PPARGPPARASLC7A5TSHRACE

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 2 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