SCHEMBL8956643

SCHEMBL8956643

CC(C(=O)NCCCS)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH2 P05091 1/20 0.36
ALDH1A3 P47895 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA4 P43681 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
SCHEMBL8956480 0.93 HDAC1 (0.45) USP2TSHRHDAC3HDAC4HDAC1
SCHEMBL8956632 0.88 USP2 (0.40) USP2TSHRHDAC3HDAC4HDAC1
SCHEMBL10304548 0.79 EPHX1 (0.53) DPP7MMP8
SCHEMBL27577203 0.79 EPHX1 (0.53) DPP7MMP8
SCHEMBL8956719 0.79 MEN1 (0.51) USP2TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL4577660 0.78 KMT2A (0.52) USP2TSHRALDH1A2ALDH1A1ALDH2
SCHEMBL929760 0.78 ALDH1A1 (0.52) USP2TSHRHDAC3HDAC1HDAC2
SCHEMBL4577656 0.78 USP2 (0.41) USP2TSHRALDH1A2ALDH1A1ALDH2
SCHEMBL930052 0.76 ALDH1A2 (0.39) USP2TSHRALDH1A2ALDH1A1ALDH2
SCHEMBL9126207 0.76 DPP7 (0.43) USP2TSHRALDH1A2ALDH1A1ALDH2

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 4 patents. 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
US-5583257-A REDUCING AGENTS FOR PERMANENT HAIR; ODORLESS L'OREAL (FR) 1996-12-10 US disclosed
US-5449805-A Permanent waves for hair L'OREAL (FR) 1995-09-12 US disclosed
US-5334377-A Reduction of the disulfide bond of keratin; the oxidation L'OREAL (FR) 1994-08-02 US disclosed