SCHEMBL1067752

SCHEMBL1067752

CS(=O)(=O)OC(F)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 1/20 0.31

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
SCHEMBL9673176 0.77 ALDH1A1 (0.52) ALDH1A1EPHX1
SCHEMBL1672558 0.76 ALDH1A1 (0.50) ALDH1A1EPHX1
SCHEMBL1064167 0.75
SCHEMBL6073178 0.74 ALDH1A1 (0.42) ALDH1A1EPHX1
SCHEMBL14779338 0.73 ALDH1A1 (0.52) ALDH1A1
SCHEMBL14297001 0.73 ALDH1A1 (0.52) ALDH1A1
SCHEMBL4555813 0.72 ALDH1A1 (0.41) ALDH1A1EPHX1
SCHEMBL8671796 0.72 SHBG (0.41) ALDH1A1EPHX1
SCHEMBL3380518 0.72 ALDH1A1 (0.41) ALDH1A1EPHX1
SCHEMBL2586909 0.71 SHBG (0.45) ALDH1A1EPHX1

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-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed