Mandelic Acid

Mandelic Acid

SCHEMBL8955735

O=C(O)[C@@H](O)c1ccccc1.ON[C@@H]1COc2cc(OCc3c(F)cccc3F)ccc21

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.44
PPARG P37231 6/20 0.44
CD274 Q9NZQ7 1/20 0.41
S1PR5 Q9H228 4/20 0.40
S1PR1 P21453 3/20 0.40
ITGA4 P13612 1/20 0.39
FFAR1 O14842 7/20 0.39
PPARA Q07869 1/20 0.39
ANO1 Q5XXA6 1/20 0.37
S1PR3 Q99500 1/20 0.37
MAOB P27338 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
Mandelic Acid SCHEMBL8876042 0.88 FFAR1 (0.47) PPARDPPARGCD274FFAR1MAOB
Mandelic Acid SCHEMBL8954005 0.88 FFAR1 (0.47) PPARDPPARGCD274FFAR1MAOB
SCHEMBL8836590 0.87 PPARG (0.44) PPARDPPARGCD274S1PR5S1PR1
SCHEMBL8876644 0.87 PPARG (0.44) PPARDPPARGCD274S1PR5S1PR1
SCHEMBL8836583 0.87 PPARG (0.44) PPARDPPARGCD274S1PR5S1PR1
Hydroxyamine SCHEMBL9059912 0.85 PPARG (0.43) PPARDPPARGCD274S1PR5S1PR1
Hydroxyamine SCHEMBL8836326 0.84 PPARG (0.42) PPARDPPARGCD274S1PR5S1PR1
SCHEMBL8955747 0.79 PPARD (0.42) PPARDPPARGS1PR5S1PR1FFAR1
SCHEMBL8484746 0.78 PPARG (0.45) PPARDPPARGCD274S1PR5S1PR1
SCHEMBL8876136 0.76 MAOB (0.55) PPARDPPARGCD274FFAR1MAOB

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