SCHEMBL5518490

SCHEMBL5518490

O=C(O)COc1cc2c(cc1CCCOc1ccccc1)OC(CCc1ccccc1)C2

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.41
ELANE P08246 2/20 0.41
FFAR1 O14842 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PPARD Q03181 1/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL14435032 0.90 MTNR1A (0.38) F2ELANEMTNR1AMTNR1B
SCHEMBL9727664 0.90 MAPK1 (0.38) MAOAMAOBMTNR1AMTNR1B
SCHEMBL14435047 0.89 F2 (0.39) F2ELANE
SCHEMBL9727458 0.86 PTGER1 (0.47)
SCHEMBL5506271 0.86 MAOA (0.41) FFAR1MAOAMAOB
SCHEMBL27739159 0.84 MAOB (0.41) MAOAMAOB
SCHEMBL9727691 0.83 MTNR1B (0.42) MTNR1B
SCHEMBL9727339 0.80 MAOB (0.43) MAOAMAOB
SCHEMBL9727767 0.80 HIF1A (0.36) PPARGMTNR1AMTNR1B
SCHEMBL9727765 0.80 MTNR1B (0.39) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070202547-A1 Methods For Detecting Substances Which Bind To The Amyloid Precursor Protein Or Beta Amyloid Fragments, And Binding Compounds MERCK & CO., INC. 2007-08-30 US disclosed
US-20070202547-A1 Methods For Detecting Substances Which Bind To The Amyloid Precursor Protein Or Beta Amyloid Fragments, And Binding Compounds MERCK & CO., INC. 2007-08-30 US disclosed
US-20070202547-A1 Methods For Detecting Substances Which Bind To The Amyloid Precursor Protein Or Beta Amyloid Fragments, And Binding Compounds MERCK & CO., INC. 2007-08-30 US disclosed
US-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed