SCHEMBL8876136

SCHEMBL8876136

ONC1COc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
MAOA P21397 2/20 0.55
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
FFAR1 O14842 5/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
GRM5 P41594 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTR2B P41595 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47

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
SCHEMBL8877619 1.00 MAOB (0.55) MAOBMAOACA2CA5AFFAR1
SCHEMBL8875180 1.00 MAOB (0.55) MAOBMAOACA2CA5AFFAR1
Mandelic Acid SCHEMBL8876042 0.88 FFAR1 (0.47) MAOBMAOACA2CA5AFFAR1
Mandelic Acid SCHEMBL8954005 0.88 FFAR1 (0.47) MAOBMAOACA2CA5AFFAR1
SCHEMBL8836590 0.82 PPARG (0.44) MAOBFFAR1PPARGPPARDCD274
SCHEMBL8836583 0.82 PPARG (0.44) MAOBFFAR1PPARGPPARDCD274
SCHEMBL8876644 0.82 PPARG (0.44) MAOBFFAR1PPARGPPARDCD274
Hydroxyamine SCHEMBL9059912 0.80 PPARG (0.43) MAOBFFAR1PPARGPPARDCD274
Hydroxyamine SCHEMBL8836326 0.79 PPARG (0.42) MAOBFFAR1PPARGPPARDCD274
SCHEMBL27770291 0.78 MAOB (0.54) MAOBMAOACA2CA5AFFAR1

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