SCHEMBL930332

SCHEMBL930332

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
MMP3 P08254 3/20 0.32
MMP1 P03956 2/20 0.32
MMP9 P14780 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ACE P12821 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 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
SCHEMBL930069 0.85 MME (0.34) ALDH1A1TDP1LMNAMAPTPTGS2
SCHEMBL931001 0.80 ACE (0.42) ALDH1A1TDP1LMNAMAPTPTGS2
SCHEMBL12762555 0.73 ALDH1A1 (0.34) ALDH1A1MMP1CA1CA2ACE
SCHEMBL930855 0.72 TDP1 (0.42) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL930121 0.71 ACE (0.35) MMP1ACE
SCHEMBL929992 0.69 TDP1 (0.39) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL929827 0.69 PTGS1 (0.41) ALDH1A1MAPTMMP1
SCHEMBL13920753 0.68 ALDH1A1 (0.53) HDAC8HDAC6ALDH1A1LMNAHDAC1
SCHEMBL4632996 0.68 PTGS1 (0.45)
SCHEMBL13753136 0.67 ALDH1A1 (0.42) ALDH1A1

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