SCHEMBL8955747

SCHEMBL8955747

O=C(ON(O)C1COc2cc(OCc3c(F)cccc3F)ccc21)[C@@H](O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.42
PPARG P37231 6/20 0.42
S1PR5 Q9H228 4/20 0.37
S1PR1 P21453 3/20 0.37
FFAR1 O14842 7/20 0.37
PPARA Q07869 1/20 0.37
ANO1 Q5XXA6 1/20 0.36
S1PR3 Q99500 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
SCHEMBL8954010 0.89 FFAR1 (0.45) PPARDPPARGFFAR1
SCHEMBL8876048 0.89 FFAR1 (0.45) PPARDPPARGFFAR1
Mandelic Acid SCHEMBL8955735 0.79 PPARD (0.44) PPARDPPARGS1PR5S1PR1FFAR1
SCHEMBL29435306 0.78 PPARG (0.44) PPARDPPARGS1PR5S1PR1FFAR1
SCHEMBL8836493 0.78 PPARG (0.44) PPARDPPARGS1PR5S1PR1FFAR1
SCHEMBL13140110 0.78 PPARG (0.44) PPARDPPARGS1PR5S1PR1FFAR1
SCHEMBL8351222 0.78 PPARG (0.44) PPARDPPARGS1PR5S1PR1FFAR1
SCHEMBL8836487 0.71 PPARG (0.41) PPARDPPARGANO1
SCHEMBL8836590 0.70 PPARG (0.44) PPARDPPARGS1PR5S1PR1FFAR1
SCHEMBL8836583 0.70 PPARG (0.44) PPARDPPARGS1PR5S1PR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708753-A4 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORP (US) 1996-10-02 EP claimed
EP-0708753-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP claimed
WO-1995002574-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO claimed