SCHEMBL930609

SCHEMBL930609

CCCC(S)C(=O)NC(CS)C(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.45
MME P08473 5/20 0.36
CPA1 P15085 3/20 0.36
ACE2 Q9BYF1 3/20 0.36
PDF Q9HBH1 4/20 0.34
MAPT P10636 2/20 0.33
PTGS2 P35354 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR88 Q9GZN0 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL931014 0.87 ACE (0.43) ACEMMECPA1ACE2PDF
SCHEMBL930299 0.83 ACE (0.65) ACEMMECPA1ACE2MAPT
SCHEMBL930665 0.81 ACE (0.68) ACEMMECPA1ACE2MAPT
SCHEMBL929597 0.80 ACE (0.47) ACEMMECPA1ACE2MAPT
SCHEMBL929318 0.76 ACE (0.46) ACE
SCHEMBL4989672 0.75 MMP9 (0.46) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL928887 0.75 KDM4E (0.53) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL15793649 0.74 TDP1 (0.37) PDFMAPTPTGS2NFKB1HDAC7
SCHEMBL4986101 0.73 KDM4E (0.41) ACEMAPTPTGS2KDM4ETHRB
SCHEMBL7263731 0.73 MAPT (0.61) ACEMAPTPTGS2KDM4ETHRB

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-7875268-B2 The use of certain dimercaptoamides as reducing agents, 2-mercapto-N-(2-mercaptoethyl)acetamide, results in curling that is satisfactoryin terms of intensity and in terms of hold over time; less substantial degradation of the hair fiber compared with the reducing agents of the prior art; permanent waves L'OREAL S.A. (FR) 2011-01-25 US claimed
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP claimed
US-7875268-B2 The use of certain dimercaptoamides as reducing agents, 2-mercapto-N-(2-mercaptoethyl)acetamide, results in curling that is satisfactoryin terms of intensity and in terms of hold over time; less substantial degradation of the hair fiber compared with the reducing agents of the prior art; permanent waves L'OREAL S.A. (FR) 2011-01-25 US disclosed