SCHEMBL3507779

SCHEMBL3507779

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

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.54
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ MTNR1A P48039 1/20 0.42

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
SCHEMBL3761826 1.00 MAOB (0.54) MAOBMAPTHTTL3MBTL1FFAR1
SCHEMBL3512415 0.93 MAOB (0.54) MAOBMAPTHTTL3MBTL1FFAR1
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
SCHEMBL7379853 0.67 MTNR1A (0.50) MAOBFFAR1FFAR4MTNR1A
SCHEMBL11513528 0.67 KDM4E (0.45) MAOB
SCHEMBL20463439 0.66 MAOB (1.00) MAOBMAPTHTTL3MBTL1FFAR1

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 3 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
US-5380755-A Monoamine oxidase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-01-10 — — US disclosed
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