SCHEMBL8875003

SCHEMBL8875003

ON[C@@H]1Cc2ccc(OCc3c(F)cccc3F)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
S1PR5 Q9H228 4/20 0.37
S1PR1 P21453 3/20 0.37
S1PR3 Q99500 1/20 0.37
ANO1 Q5XXA6 3/20 0.36
HTR6 P50406 1/20 0.36
SCN3A Q9NY46 2/20 0.36
HIF1A Q16665 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL8876623 1.00 MAOB (0.40) MAOBS1PR5S1PR1S1PR3ANO1
SCHEMBL9217974 1.00 MAOB (0.40) MAOBS1PR5S1PR1S1PR3ANO1
SCHEMBL8876723 0.88 MAOB (0.39) MAOBS1PR5S1PR1S1PR3ANO1
SCHEMBL9490237 0.81 HTR6 (0.53) MAOBHTR6HIF1AHPGDSMN1; SMN2
SCHEMBL9216132 0.81 S1PR5 (0.47) S1PR5S1PR1HPGDSMN1; SMN2NPSR1
SCHEMBL8836583 0.77 PPARG (0.44) MAOBS1PR5S1PR1
SCHEMBL8876644 0.77 PPARG (0.44) MAOBS1PR5S1PR1
SCHEMBL8836590 0.77 PPARG (0.44) MAOBS1PR5S1PR1
SCHEMBL9209731 0.75 S1PR5 (0.43) S1PR5S1PR1S1PR3
SCHEMBL9211970 0.75 MAOB (0.53) MAOBSCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1995002402-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed
WO-1995002574-A1 SYNTHESIS OF ACID ADDITION SALTS OF HYDROXYLAMINES SMITHKLINE BEECHAM CORPORATION (US) 1995-01-26 WO disclosed