SCHEMBL16521977

SCHEMBL16521977

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(CCCCCC(=O)ON1C(=O)CCC1=O)C(=O)c1cc2cc(F)c(N)c(F)c2oc1=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13566396 0.93 MAOA (0.39) MAOAMAOBALDH1A1
SCHEMBL14329729 0.90 MAOA (0.39) MAOAMAOBALDH1A1
SCHEMBL19465282 0.78 MAOA (0.36) MAOAMAOB
SCHEMBL25396755 0.74 ALDH1A1 (0.38) MAOAMAOBALDH1A1
SCHEMBL30536660 0.74 ALDH1A1 (0.38) MAOAMAOBALDH1A1
SCHEMBL16521978 0.74 PSMB8 (0.37) ALDH1A1
SCHEMBL16521976 0.74 PSMB8 (0.37) —
SCHEMBL17483246 0.74 SMN1; SMN2 (0.38) —
SCHEMBL21316425 0.73 MEN1 (0.35) MAOAMAOBALDH1A1
SCHEMBL17942944 0.72 MAOB (0.38) MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150056632-A1 FLUORESCENT DYES, FLUORESCENT DYE KITS, AND METHODS OF PREPARING LABELED MOLECULES BIOTIUM, INC. (US) 2015-02-26 — — US disclosed
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