Bucillamine

Bucillamine

SCHEMBL5060887

CC(C)(S)C(=O)N[C@@H](CS)C(=O)O.CC(C)(S)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
THRB P10828 1/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59
PTGS2 P35354 1/20 0.59
THPO P40225 1/20 0.59
RECQL P46063 1/20 0.59
BLM P54132 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ACE P12821 3/20 0.54
MME P08473 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
FOLH1 Q04609 4/20 0.50
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
NAALAD2 Q9Y3Q0 3/20 0.35
RIMKLA Q8IXN7 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
Bucillamine SCHEMBL522713 1.00 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
Bucillamine SCHEMBL121965 1.00 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
Bucillamine SCHEMBL930021 1.00 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
Bucillamine SCHEMBL4632094 0.91 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
Bucillamine SCHEMBL28086441 0.88 PTGS1 (0.56) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6661780 0.86 KDM4E (0.61) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6661779 0.86 KDM4E (0.61) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL9324856 0.86 KDM4E (0.61) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL929192 0.85 ACE (0.51) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL929188 0.85 ACE (0.51) MAPTKDM4ETHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 EP disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 WO disclosed