SCHEMBL929992

SCHEMBL929992

CCCC(S)C(=O)NCCS

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 3/20 0.39
USP2 O75604 2/20 0.39
DPP7 Q9UHL4 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
RRM1 P23921 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
SCHEMBL929889 0.89 DPP7 (0.43) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL930610 0.87 DPP7 (0.46) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL928991 0.85 RRM1 (0.45) ALDH1A1DPP7HDAC7HDAC8HDAC6
SCHEMBL930855 0.83 TDP1 (0.42) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL929317 0.83 USP2 (0.46) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL7091802 0.80 DPP7 (0.40) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL929185 0.79
SCHEMBL28477032 0.74 TDP1 (0.47) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL5478001 0.74 RNPEP (0.42) TDP1ALDH1A1LMNAMAPTPTGS2
SCHEMBL26817761 0.73 SIRT6 (0.38) TSHRUSP2DPP7HDAC7HDAC8

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