SCHEMBL931004

SCHEMBL931004

CCC(S)C(=O)NCCCCS

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A2 O94788 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
ALDH1A3 P47895 1/20 0.41
DPP7 Q9UHL4 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39

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
SCHEMBL928482 0.98 ALDH1A2 (0.44) USP2TSHRALDH1A2ALDH1A1ALDH2
SCHEMBL929089 0.94 USP2 (0.43) USP2TSHRALDH1A2ALDH1A1ALDH2
SCHEMBL929317 0.86 USP2 (0.46) USP2TSHRALDH1A2ALDH1A1ALDH2
SCHEMBL930610 0.85 DPP7 (0.46) USP2ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL928991 0.84 RRM1 (0.45) ALDH1A2ALDH1A1ALDH2ALDH1A3DPP7
SCHEMBL929789 0.80 ALDH1A1 (0.50) ALDH1A2ALDH1A1ALDH2ALDH1A3DPP7
SCHEMBL27398023 0.79 USP2 (0.48) USP2TSHRALDH1A1DPP7MEN1
SCHEMBL929889 0.79 DPP7 (0.43) USP2TSHRALDH1A2ALDH1A1ALDH2
SCHEMBL929877 0.78 ALDH1A1 (0.48) ALDH1A2ALDH1A1ALDH2ALDH1A3DPP7
SCHEMBL27629932 0.78 ALDH1A2 (0.38) ALDH1A2ALDH1A1ALDH2ALDH1A3DPP7

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 2 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
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