SCHEMBL3512415

SCHEMBL3512415

CCCCCc1cc(OCc2cccc(C(F)(F)F)c2)ccc1OC[C@H](COC)OC(=O)OC

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.54
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MTNR1A P48039 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43

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
SCHEMBL3507779 0.93 MAOB (0.54) MAOBMAPTHTTL3MBTL1MTNR1A
SCHEMBL3761826 0.93 MAOB (0.54) MAOBMAPTHTTL3MBTL1MTNR1A
SCHEMBL3516327 0.86 MAOB (0.52) MAOBMAPTHTTL3MBTL1
SCHEMBL3514027 0.86 MAOB (0.52) MAOBMAPTHTTL3MBTL1
SCHEMBL3506523 0.83 MAOB (0.48) MAOBMAPTHTTL3MBTL1FFAR1
SCHEMBL7378184 0.76 MAPT (0.58) MAOBMAPTHTTL3MBTL1FFAR1
SCHEMBL3691721 0.68 MAOB (0.54) MAOBMAPTHTTL3MBTL1
SCHEMBL4709035 0.66 MAOB (0.77) MAOBMAPTHTTL3MBTL1FFAR1
SCHEMBL22386761 0.65 MAOB (0.75) MAOBMAPTHTTL3MBTL1FFAR1
SCHEMBL7379853 0.65 MTNR1A (0.50) MAOBMTNR1AFFAR1FFAR4PPARG

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-5380755-A Monoamine oxidase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-01-10 — — US claimed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 — — US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 — — EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 — — WO disclosed
US-5380755-A Monoamine oxidase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-01-10 — — US disclosed
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