SCHEMBL8957018

SCHEMBL8957018

CCN(CC)CC(=O)NCCOCCS

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM2 P08172 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
MC4R P32245 1/20 0.34
SCN4A P35499 1/20 0.34
MC3R P41968 1/20 0.34
HTR3A P46098 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN3A Q9NY46 1/20 0.34
HPGD P15428 3/20 0.33
BLM P54132 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 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
SCHEMBL8956512 0.84 MEN1 (0.39) MEN1KMT2ALMNACA1CA2
SCHEMBL8956368 0.82 ALDH1A1 (0.40) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL8956435 0.79 MEN1 (0.43) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL25623223 0.79 TSHR (0.44) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL24393605 0.77 DNM1 (0.35) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL8956687 0.76 MEN1 (0.45) ALDH1A1GAAMEN1KMT2AMAPK1
SCHEMBL8956928 0.75 MEN1 (0.37) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL20061840 0.75 EPHX2 (0.40) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL8956991 0.75 DNM1 (0.44) MEN1KMT2ACHRM2NPSR1CA1
SCHEMBL1826087 0.74 MEN1 (0.47) MEN1KMT2ALMNABLMCA1

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