SCHEMBL8956480

SCHEMBL8956480

CC(C(=O)NCCCCCS)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.45
HDAC2 Q92769 6/20 0.45
HDAC10 Q969S8 6/20 0.45
HDAC8 Q9BY41 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
HDAC3 O15379 5/20 0.45
HDAC4 P56524 5/20 0.45
HDAC7 Q8WUI4 5/20 0.45
HDAC11 Q96DB2 5/20 0.45
HDAC9 Q9UKV0 5/20 0.45
HDAC5 Q9UQL6 5/20 0.45
ALDH1A2 O94788 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALDH2 P05091 1/20 0.42
ALDH1A3 P47895 1/20 0.42
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
MMP8 P22894 1/20 0.37
EPHX1 P07099 4/20 0.36

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
SCHEMBL8956643 0.93 USP2 (0.38) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL8956632 0.85 USP2 (0.40) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL10304548 0.84 EPHX1 (0.53) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL27577203 0.84 EPHX1 (0.53) MMP8EPHX1RRM1DPP7GNAI3
SCHEMBL929877 0.79 ALDH1A1 (0.48) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL9124672 0.78 ALDH1A2 (0.45) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL929789 0.77 ALDH1A1 (0.50) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL8956719 0.76 MEN1 (0.51) USP2TSHR
SCHEMBL929767 0.76 ALDH1A2 (0.42) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL4577660 0.75 KMT2A (0.52) ALDH1A2ALDH1A1ALDH2ALDH1A3KDM4E

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