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SCHEMBL8538076

SCHEMBL8538076

C=CCON=C(C(C)=C(ON)c1ccccc1C(=COC)C(=O)OC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.45
▸ NR4A2 P43354 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.37
▸ ADCYAP1R1 P41586 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL7742091 0.94 MAOB (0.47) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7465788 0.94 MAOB (0.47) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL8544101 0.90 MAOB (0.45) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7736845 0.90 MAOB (0.44) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7465135 0.86 MAOB (0.43) MAOBMAPTHIF1ASPHK2SPHK1
SCHEMBL7497699 0.85 MAOB (0.45) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7497703 0.85 MAOB (0.45) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7744889 0.85 HIF1A (0.47) MAOBNR4A2MAPTHTTL3MBTL1
SCHEMBL7467262 0.83 MAPK14 (0.39) MAPTHIF1A
SCHEMBL7500151 0.82 HIF1A (0.40) MAOBHIF1AFFAR1FFAR4

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-0865424-A1 PESTICIDES Novartis AG (CH) 1998-09-23 — — EP disclosed
WO-1997020809-A1 PESTICIDES NOVARTIS AG (CH) 1997-06-12 — — WO disclosed