SCHEMBL4302186

SCHEMBL4302186

CCOC(CC(=O)OCc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.53
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PPARG P37231 1/20 0.46
SLC15A1 P46059 1/20 0.44

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
SCHEMBL28008704 0.93 FFAR1 (0.53) FFAR1ALDH1A1MAPK1L3MBTL1PPARG
SCHEMBL1508345 0.86 FFAR1 (0.49) FFAR1ALDH1A1PPARG
SCHEMBL3821109 0.81 FFAR1 (0.51) FFAR1ALDH1A1
SCHEMBL1882562 0.80 ALDH1A1 (0.54) FFAR1LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL1508431 0.80 FFAR1 (0.46) FFAR1PPARG
SCHEMBL10316924 0.79 FFAR1 (0.62) FFAR1PPARG
SCHEMBL4031828 0.79 FFAR1 (0.62) FFAR1PPARG
SCHEMBL16408022 0.77 ALDH1A1 (0.51) FFAR1LMNAALDH1A1MAPK1L3MBTL1
SCHEMBL27731969 0.77 SLC15A1 (0.52) LMNAALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL28008254 0.75 FFAR1 (0.50) FFAR1ALDH1A1

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 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