SCHEMBL9487573

SCHEMBL9487573

ONC1CCCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 2/20 0.53
GRIN1 Q05586 1/20 0.51
GRIN2B Q13224 1/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
LIPG Q9Y5X9 1/20 0.50
SCN3A Q9NY46 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
MMP14 P50281 1/20 0.49
MMP15 P51511 1/20 0.49
MMP16 P51512 1/20 0.49
MMP26 Q9NRE1 1/20 0.49
HRH3 Q9Y5N1 4/20 0.49
CYP2D6 P10635 2/20 0.49
FFAR1 O14842 1/20 0.48
CD274 Q9NZQ7 1/20 0.48

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
SCHEMBL9488808 0.92 LIPG (0.57) GRIN1GRIN2BMAOAMAOBLIPG
SCHEMBL9491587 0.90 TAOK1 (0.53) TAOK1MAOAMAOBHRH3CYP2D6
SCHEMBL9492340 0.88 GAA (0.48) TAOK1MAOBSCN3AFFAR1CD274
SCHEMBL9490621 0.88 MAOB (0.52) MAOAMAOBSCN3AMMP2MMP9
SCHEMBL9490891 0.88 ALDH1A1 (0.50) TAOK1SCN3AMMP1MMP2MMP7
SCHEMBL9492132 0.83 HRH3 (0.47) TAOK1SCN3AHRH3CD274NPC1
SCHEMBL9489556 0.82 TAOK1 (0.48) TAOK1SCN3AMMP12HRH3CD274
SCHEMBL1843142 0.80 FFAR1 (0.53) GRIN1GRIN2BMAOAMAOBMMP1
SCHEMBL9488534 0.80 SMPD1 (0.48) MAOAMAOBLIPGSCN3AMMP1
SCHEMBL9490780 0.80 CYSLTR1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP claimed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO claimed
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed