SCHEMBL928430

SCHEMBL928430

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.39
MME P08473 3/20 0.37
CPA1 P15085 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
FCER2 P06734 1/20 0.33
NOD1 Q9Y239 1/20 0.33
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ENPEP Q07075 2/20 0.32
ECE1 P42892 1/20 0.32
MMP1 P03956 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL929917 0.88 ACE (0.41) ACEMMECPA1ACE2FCER2
SCHEMBL929597 0.88 ACE (0.47) ACEMMECPA1ACE2FCER2
SCHEMBL930665 0.76 ACE (0.68) ACEMMECPA1ACE2CA12
SCHEMBL16770307 0.75 NOD1 (0.38) FCER2NOD1ENPEPECE1
SCHEMBL10070143 0.74 KDM4E (0.50) FCER2NOD1ENPEPALDH1A1MAPT
SCHEMBL21134825 0.74 PTGS1 (0.39) ACEFCER2NOD1ENPEP
SCHEMBL929845 0.74 ACE (0.46) ACEMMECPA1ACE2FCER2
SCHEMBL31057050 0.73 HDAC8 (0.52) NOD1HDAC7HDAC8HDAC6HDAC9
SCHEMBL29531850 0.73 NOD1 (0.39) ACEMMENOD1HDAC7HDAC8
SCHEMBL930609 0.72 ACE (0.45) ACEMMECPA1ACE2HDAC7

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