SCHEMBL9490302

SCHEMBL9490302

ON=C1CCCc2cc(OCc3ccc4ccccc4c3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.54
MAOB P27338 14/20 0.54
S1PR1 P21453 1/20 0.50
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR84 Q9NQS5 1/20 0.44

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
SCHEMBL9489485 0.88 MAOA (0.66) MAOAMAOBHPGDL3MBTL1
SCHEMBL9487962 0.83 MAOB (0.67) MAOAMAOB
SCHEMBL9487504 0.83 MAOA (0.54) MAOAMAOB
SCHEMBL9490729 0.82 PDE10A (0.52)
SCHEMBL9487908 0.80 MAOB (0.58) MAOAMAOBHPGD
SCHEMBL9487904 0.80 MAOB (0.58) MAOAMAOBHPGD
SCHEMBL17310722 0.78 MAOA (0.66) MAOAMAOBHPGDL3MBTL1
SCHEMBL9488570 0.78 MAOA (0.66) MAOAMAOBHPGDL3MBTL1
SCHEMBL9488827 0.74 HPGD (0.53) MAOAMAOBHPGDL3MBTL1
SCHEMBL31618714 0.73 MAOA (0.63) MAOAMAOB

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 2 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 disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed