SCHEMBL8956597

SCHEMBL8956597

CN(C)CCC(=O)NCCS

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.52
HDAC3 O15379 7/20 0.44
HDAC4 P56524 7/20 0.44
HDAC1 Q13547 7/20 0.44
HDAC7 Q8WUI4 7/20 0.44
HDAC2 Q92769 7/20 0.44
HDAC10 Q969S8 7/20 0.44
HDAC11 Q96DB2 7/20 0.44
HDAC8 Q9BY41 7/20 0.44
HDAC6 Q9UBN7 7/20 0.44
HDAC9 Q9UKV0 7/20 0.44
HDAC5 Q9UQL6 7/20 0.44
ACKR3 P25106 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LGALS1 P09382 1/20 0.37
TERT O14746 4/20 0.37
CASP2 P42575 1/20 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
SCHEMBL8956303 0.88 DNM1 (0.61) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8956620 0.88 DNM1 (0.56) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8411348 0.86 DNM1 (0.64) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20834977 0.84 DNM1 (0.44) DNM1ACKR3TERT
SCHEMBL8422571 0.84 DNM1 (0.67) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8411584 0.84 DNM1 (0.72) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8956676 0.84 DNM1 (0.57) DNM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL24412648 0.83 DNM1 (0.65) DNM1ALDH1A1CASP2
SCHEMBL4577306 0.83 DNM1 (0.55) DNM1ALDH1A1
SCHEMBL7140311 0.83 DNM1 (0.61) DNM1ACKR3ALDH1A1TERTCASP2

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