SCHEMBL9488808

SCHEMBL9488808

ONC1CCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.57
GRIN1 Q05586 5/20 0.53
GRIN2B Q13224 5/20 0.53
MMP1 P03956 3/20 0.51
MMP2 P08253 3/20 0.51
MMP7 P09237 3/20 0.51
MMP9 P14780 3/20 0.51
MMP12 P39900 3/20 0.51
MMP14 P50281 3/20 0.51
MMP15 P51511 3/20 0.51
MMP16 P51512 3/20 0.51
MMP26 Q9NRE1 3/20 0.51
HRH3 Q9Y5N1 6/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
SCN3A Q9NY46 1/20 0.50
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 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
SCHEMBL9487573 0.92 TAOK1 (0.53) LIPGGRIN1GRIN2BMMP1MMP2
SCHEMBL9488534 0.87 SMPD1 (0.48) LIPGMMP1MMP2MMP7MMP9
SCHEMBL14541409 0.85 LIPG (0.52) LIPGGRIN1GRIN2BMMP1MMP2
SCHEMBL1746466 0.82 GRIN1 (0.61) GRIN1GRIN2BHRH3USP2MAPT
SCHEMBL3965085 0.82 GRIN1 (0.61) GRIN1GRIN2BHRH3USP2MAPT
SCHEMBL3970687 0.82 GRIN1 (0.61) GRIN1GRIN2BHRH3USP2MAPT
SCHEMBL9491587 0.82 TAOK1 (0.53) HRH3KDM1AMAOAMAOBCYP2D6
SCHEMBL13256033 0.82 MAOB (0.64) LIPGHRH3MAOAMAOB
SCHEMBL9492340 0.81 GAA (0.48) MAPTSCN3AMAOB
SCHEMBL9487513 0.81 HRH3 (0.44) MMP12HRH3SCN3A

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