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Sugi Predict / Compounds / SCHEMBL16521978

SCHEMBL16521978

SCHEMBL16521978

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(CCCCCC(=O)ON1C(=O)CCC1=O)C(=O)c1c(C)c2ccc(N)cc2oc1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ SRC P12931 1/20 0.36
▸ ABCB1 P08183 3/20 0.30
▸ ABCC1 P33527 3/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAP2K1 Q02750 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
SCHEMBL16521976 0.89 PSMB8 (0.37) PSMB8PSMB5
SCHEMBL17483241 0.89 PSMB8 (0.40) PSMB8PSMB5SRCALDH1A1HPGD
SCHEMBL17483203 0.89 PSMB8 (0.40) PSMB8PSMB5SRCALDH1A1HPGD
SCHEMBL13566395 0.88 PSMB8 (0.40) PSMB8PSMB5SRCALDH1A1HPGD
SCHEMBL13566457 0.86 PSMB8 (0.40) PSMB8PSMB5SRCALDH1A1HPGD
SCHEMBL14329726 0.86 PSMB8 (0.40) PSMB8PSMB5SRCALDH1A1HPGD
SCHEMBL17483244 0.79 PSMB8 (0.40) PSMB8PSMB5ALDH1A1HPGD
SCHEMBL13567282 0.78 PSMB8 (0.45) PSMB8PSMB5SRCALDH1A1HPGD
SCHEMBL17483204 0.77 PSMB8 (0.40) PSMB8PSMB5ALDH1A1HPGD
SCHEMBL17483240 0.77 SRC (0.45) SRCALDH1A1HPGDMAP2K1

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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