SCHEMBL4298696

SCHEMBL4298696

O=C(Cc1cccc(SCc2ccccc2)c1)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.79
PPARG P37231 12/20 0.79
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PPARD Q03181 1/20 0.48
HTT P42858 1/20 0.47
MGLL Q99685 1/20 0.46
MMP1 P03956 1/20 0.42
MMP12 P39900 1/20 0.42
PTGDR2 Q9Y5Y4 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
SCHEMBL979916 0.89 PPARG (1.00) PPARAPPARGALDH1A1MAPK1L3MBTL1
SCHEMBL977693 0.82 PPARG (0.77) PPARAPPARGALDH1A1HTTMMP1
SCHEMBL3818181 0.80 ALDH1A1 (0.67) PPARAPPARGALDH1A1MAPK1L3MBTL1
SCHEMBL979305 0.79 PPARG (1.00) PPARAPPARGALDH1A1HTT
SCHEMBL11624334 0.78 PPARG (0.56) PPARAPPARGALDH1A1MAPK1L3MBTL1
SCHEMBL978747 0.77 PPARG (1.00) PPARAPPARGALDH1A1MAPK1L3MBTL1
SCHEMBL977475 0.77 PPARG (1.00) PPARAPPARGALDH1A1MAPK1L3MBTL1
SCHEMBL23012852 0.75 PPARG (0.55) PPARAPPARGALDH1A1MAPK1L3MBTL1
SCHEMBL21012086 0.75 ALDH1A1 (0.63) PPARAPPARGALDH1A1MAPK1L3MBTL1
SCHEMBL6969028 0.75 PPARG (0.49) PPARAPPARGMAPK1HTT

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