SCHEMBL8976086

SCHEMBL8976086

CC(C(=O)NCCSSCCNC(=O)C(C)N(C)C)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
USP2 O75604 2/20 0.39
CHRNB2 P17787 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA4 P43681 4/20 0.36
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC9 Q9UKV0 3/20 0.35
HDAC5 Q9UQL6 3/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
BCL2A1 Q16548 2/20 0.33

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
SCHEMBL4577656 0.79 USP2 (0.41) TSHRUSP2CHRNB2CHRNB4CHRNA4
SCHEMBL4577660 0.79 KMT2A (0.52) TSHRUSP2CHRNB2CHRNB4CHRNA4
SCHEMBL14077043 0.79 KMT2A (0.43) TSHRUSP2HDAC3HDAC4HDAC1
SCHEMBL8956632 0.78 USP2 (0.40) TSHRUSP2CHRNB2CHRNB4CHRNA4
SCHEMBL3332159 0.77 MEN1 (0.55) TSHRUSP2HDAC3HDAC4HDAC1
SCHEMBL18573074 0.76 ECE1 (0.53) TSHRUSP2CHRNB2CHRNB4CHRNA4
SCHEMBL9509585 0.75 TERT (0.39) TSHRUSP2HDAC3HDAC4HDAC1
SCHEMBL10490843 0.75 TERT (0.39) TSHRUSP2HDAC3HDAC4HDAC1
SCHEMBL8956643 0.74 USP2 (0.38) TSHRUSP2CHRNB2CHRNB4CHRNA4
SCHEMBL10304548 0.73 EPHX1 (0.53)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514282-B1 Alkylamino mercaptoalkylamides or salts thereof acceptable for cosmetic use, their use as a reducing agent and a process for the permanent deformation of hair OREAL (FR) 1996-04-10 EP claimed