SCHEMBL8956512

SCHEMBL8956512

CN(C)CC(=O)NCCOCCS

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
DNM1 Q05193 2/20 0.32
TSHR P16473 1/20 0.32
LGALS1 P09382 1/20 0.31
APP P05067 1/20 0.31
ALK Q9UM73 1/20 0.31
CA2 P00918 3/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
LMNA P02545 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
SCHEMBL1825228 0.90 MEN1 (0.47) MEN1KMT2ASMN1; SMN2DNM1TSHR
SCHEMBL1826087 0.90 MEN1 (0.47) MEN1KMT2ASMN1; SMN2DNM1TSHR
SCHEMBL24146356 0.85 EPHX2 (0.42) MEN1KMT2ASMN1; SMN2DNM1TSHR
SCHEMBL8957018 0.84 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2TSHRCA2
SCHEMBL22124651 0.84 MEN1 (0.38) MEN1KMT2ASMN1; SMN2DNM1TSHR
SCHEMBL8956991 0.82 DNM1 (0.44) MEN1KMT2ADNM1TSHRLGALS1
SCHEMBL23729565 0.81 MEN1 (0.40) MEN1KMT2ASMN1; SMN2DNM1APP
SCHEMBL8956453 0.80 HDAC1 (0.40) MEN1KMT2ADNM1
SCHEMBL8956498 0.80 DNM1 (0.51) MEN1KMT2ASMN1; SMN2DNM1TSHR
SCHEMBL16406363 0.79 TSHR (0.47) SMN1; SMN2TSHRCA2

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