SCHEMBL8956586

SCHEMBL8956586

CC(C)NCC(=O)NCCS

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.37
HDAC4 P56524 8/20 0.37
HDAC1 Q13547 8/20 0.37
HDAC7 Q8WUI4 8/20 0.37
HDAC2 Q92769 8/20 0.37
HDAC10 Q969S8 8/20 0.37
HDAC11 Q96DB2 8/20 0.37
HDAC8 Q9BY41 8/20 0.37
HDAC6 Q9UBN7 8/20 0.37
HDAC9 Q9UKV0 8/20 0.37
HDAC5 Q9UQL6 8/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15980869 0.87 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL15980868 0.83 ALDH1A1 (0.43) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL25443809 0.83 KMT2A (0.44) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL25443810 0.83 KMT2A (0.50) ALDH1A1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL8956633 0.82 LMNA (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18736128 0.81 MCL1 (0.45) ALDH1A1MEN1KMT2A
SCHEMBL25444575 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATP53SMN1; SMN2
SCHEMBL21653812 0.79 FAAH (0.44) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL22134299 0.79 CNR1 (0.44) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL24259733 0.78 EPHX1 (0.47) MEN1KMT2A

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