SCHEMBL929317

SCHEMBL929317

CCC(S)C(=O)NCCS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.46
TSHR P16473 1/20 0.46
ACE P12821 4/20 0.40
MME P08473 3/20 0.40
CPA1 P15085 3/20 0.40
ACE2 Q9BYF1 3/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
DPP7 Q9UHL4 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC7 Q8WUI4 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC10 Q969S8 2/20 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
SCHEMBL929089 0.88 USP2 (0.43) USP2TSHRACEMMECPA1
SCHEMBL931004 0.86 USP2 (0.42) USP2TSHRACEMMECPA1
SCHEMBL27398023 0.84 USP2 (0.48) USP2TSHRACEMMECPA1
SCHEMBL928482 0.84 ALDH1A2 (0.44) USP2TSHRALDH1A1DPP7MEN1
SCHEMBL929992 0.83 TDP1 (0.39) USP2TSHRACEMMECPA1
SCHEMBL928766 0.82
SCHEMBL27391827 0.79
SCHEMBL929185 0.77
SCHEMBL27507044 0.77 DPP7 (0.47) USP2TSHRDPP7
SCHEMBL8956497 0.75 USP2 (0.43) USP2TSHRACEMMECPA1

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