SCHEMBL4637563

SCHEMBL4637563

CCOP(=O)(O)C(F)(CC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.35
TSHR P16473 3/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR2 O95136 4/20 0.34
S1PR5 Q9H228 3/20 0.34
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL905270 0.82 TSHR (0.36) PPARDTSHRS1PR1S1PR3S1PR2
SCHEMBL3626070 0.81 PKM (0.36) PPARDTSHR
SCHEMBL4550022 0.80 PPARD (0.38) PPARDTSHRS1PR1S1PR3S1PR2
SCHEMBL98777 0.79 TSHR (0.40) PPARDTSHRTP53TDP1SMN1; SMN2
SCHEMBL1683252 0.78 TSHR (0.32) PPARDTSHRS1PR1S1PR3S1PR2
Trifluoroacetic Acid SCHEMBL3432138 0.78 S1PR1 (0.46) PPARDTSHRS1PR1S1PR3S1PR2
SCHEMBL98778 0.76 PPARD (0.38) PPARDTSHRTP53TDP1SMN1; SMN2
SCHEMBL6623038 0.76 PPARD (0.38) PPARDTSHRTP53TDP1CA12
SCHEMBL6579016 0.75 TSHR (0.40) PPARDTSHRTP53TDP1SMN1; SMN2
SCHEMBL5962714 0.74 PPARD (0.36) PPARDTSHRTP53TDP1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940770-B1 NOVEL METHOD FOR PREPARING UNSATURATED FATTY HYDROXYACIDS PIERRE FABRE DERMO COSMÉTIQUE (FR) 2015-11-11 EP disclosed
EP-1937619-B1 NOVEL UNSATURATED FATTY HYDROXY ACID DERIVATIVES AND THE DERMOCOSMETOLOGIC USE THEREOF PIERRE FABRE DERMO COSMÉTIQUE (FR) 2014-10-08 EP disclosed
EP-1940770-A2 NOVEL METHOD FOR PREPARING UNSATURATED FATTY HYDROXYACIDS Pierre Fabre Dermo-Cosmetique (FR) 2008-07-09 EP disclosed
EP-1937619-A1 NOVEL UNSATURATED FATTY HYDROXY ACID DERIVATIVES AND THE DERMOCOSMETOLOGIC USE THEREOF Pierre Fabre Dermo-Cosmetique (FR) 2008-07-02 EP disclosed
WO-2007045741-A2 NOVEL METHOD FOR PREPARING UNSATURATED FATTY HYDROXYACIDS PIERRE FABRE DERMO COSMETIQUE (FR) 2007-04-26 WO disclosed
WO-2007045693-A1 NOVEL UNSATURATED FATTY HYDROXY ACID DERIVATIVES AND THE DERMOCOSMETOLOGIC USE THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 2007-04-26 WO disclosed
EP-0402246-B1 Thiazolylalkoxyacrylates, process for their preparation, their use as fungicides and intermediates in their preparation ROUSSEL UCLAF (FR) 1994-08-24 EP disclosed
EP-0402246-A1 Thiazolylalkoxyacrylates, process for their preparation, their use as fungicides and intermediates in their preparation ROUSSEL-UCLAF (FR) 1990-12-12 EP disclosed