SCHEMBL8876644

SCHEMBL8876644

ON[C@H]1COc2cc(OCc3c(F)cccc3F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.44
PPARD Q03181 9/20 0.44
S1PR5 Q9H228 3/20 0.42
S1PR1 P21453 2/20 0.42
CD274 Q9NZQ7 2/20 0.41
MAOB P27338 1/20 0.40
FFAR1 O14842 8/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL8836583 1.00 PPARG (0.44) PPARGPPARDS1PR5S1PR1CD274
SCHEMBL8836590 1.00 PPARG (0.44) PPARGPPARDS1PR5S1PR1CD274
Hydroxyamine SCHEMBL9059912 0.98 PPARG (0.43) PPARGPPARDS1PR5S1PR1CD274
Hydroxyamine SCHEMBL8836326 0.96 PPARG (0.42) PPARGPPARDS1PR5S1PR1CD274
Mandelic Acid SCHEMBL8955735 0.87 PPARD (0.44) PPARGPPARDS1PR5S1PR1CD274
SCHEMBL8484746 0.85 PPARG (0.45) PPARGPPARDS1PR5S1PR1CD274
SCHEMBL8876136 0.82 MAOB (0.55) PPARGPPARDCD274MAOBFFAR1
SCHEMBL8875180 0.82 MAOB (0.55) PPARGPPARDCD274MAOBFFAR1
SCHEMBL8877619 0.82 MAOB (0.55) PPARGPPARDCD274MAOBFFAR1
SCHEMBL13920487 0.78 PPARG (0.45) PPARGPPARDS1PR5S1PR1CD274

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 7 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
US-5663368-A Synthesis of acid addition salts of hydroxylamines SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
EP-0708753-A4 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORP (US) 1996-10-02 EP disclosed
EP-0708753-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1996-05-01 EP disclosed
WO-1995002574-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed