Bucillamine

Bucillamine

SCHEMBL4632094

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

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
PTGS2 P35354 1/20 0.50
THPO P40225 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACE P12821 3/20 0.48
MME P08473 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
FOLH1 Q04609 1/20 0.44
CA1 P00915 5/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
PTGS1 P23219 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL929464 0.93 ACE (0.42) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL929463 0.93 ACE (0.42) MAPTKDM4ETHRBALOX15NFKB1
Bucillamine SCHEMBL5060887 0.91 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
Bucillamine SCHEMBL522713 0.91 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
Bucillamine SCHEMBL930021 0.91 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
Bucillamine SCHEMBL121965 0.91 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
Bucillamine SCHEMBL28086441 0.84 PTGS1 (0.56) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL29476459 0.80 MAPT (0.59) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL24378316 0.80 KDM4E (0.44) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL21153257 0.79 KDM4E (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP claimed