SCHEMBL9489485

SCHEMBL9489485

ON=C1CCCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.66
MAOB P27338 14/20 0.66
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
HPGD P15428 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
SCHEMBL9487904 0.92 MAOB (0.58) MAOAMAOBNPC1RAB9AHRH3
SCHEMBL9487908 0.92 MAOB (0.58) MAOAMAOBNPC1RAB9AHRH3
SCHEMBL17310722 0.90 MAOA (0.66) MAOAMAOBNPC1RAB9ARXRA
SCHEMBL9488570 0.90 MAOA (0.66) MAOAMAOBNPC1RAB9ARXRA
SCHEMBL9490302 0.88 MAOA (0.54) MAOAMAOBL3MBTL1HPGD
SCHEMBL9487962 0.87 MAOB (0.67) MAOAMAOBNPC1RAB9ARXRA
SCHEMBL9487504 0.87 MAOA (0.54) MAOAMAOBNPC1RAB9ARXRA
SCHEMBL31618714 0.85 MAOA (0.63) MAOAMAOBHRH3
SCHEMBL9488827 0.81 HPGD (0.53) MAOAMAOBNPC1RAB9AL3MBTL1
SCHEMBL226640 0.80 MAOB (1.00) MAOAMAOBNPC1RAB9AHPGD

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