SCHEMBL4303175

SCHEMBL4303175

C=CCC(OC(=O)Cc1ccc(SCc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.77
PPARA Q07869 7/20 0.77
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.39
SLC6A4 P31645 1/20 0.39
KLK7 P49862 2/20 0.37
HAO1 Q9UJM8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL979692 0.87 PPARG (1.00) PPARGPPARA
SCHEMBL979691 0.73 PPARG (0.63) PPARGPPARATSHRCYP2C19KLK7
SCHEMBL10688303 0.73 FFAR1 (0.55) PPARGPPARATSHRSLC6A4HAO1
SCHEMBL28850896 0.72 TSHR (0.61) PPARGPPARATSHRKLK7CRHBP
SCHEMBL17964196 0.72 CYP2C19 (0.56) PPARGPPARACYP2C19KDM4E
SCHEMBL19999148 0.72 CYP2C19 (0.56) PPARGPPARACYP2C19KDM4E
SCHEMBL11032151 0.72 CYP2C19 (0.56) PPARGPPARACYP2C19KDM4E
SCHEMBL11428660 0.72 PPARG (0.49) PPARGPPARACYP2C19
SCHEMBL28948579 0.71 CYP2C19 (0.54) PPARGPPARACYP2C19KDM4E
SCHEMBL4301066 0.71 PPARG (0.78) PPARGPPARATSHRSLC6A4KLK7

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