SCHEMBL8956580

SCHEMBL8956580

CCNCC(=O)NCCCS

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CASP2 P42575 1/20 0.38
NAAA Q02083 1/20 0.36
DNM1 Q05193 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PAOX Q6QHF9 1/20 0.34
MCL1 Q07820 1/20 0.34
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
EPHX1 P07099 2/20 0.33
GAA P10253 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
SCHEMBL8957040 0.92 MEN1 (0.47) MEN1KMT2ACASP2NAAADNM1
SCHEMBL8956996 0.88 MEN1 (0.38) MEN1KMT2ACASP2DNM1ALDH1A1
SCHEMBL18515892 0.84 GAA (0.41) MEN1KMT2ACASP2PAOXMCL1
SCHEMBL19475788 0.83 CASP2 (0.50) MEN1KMT2ACASP2NAAAFAAH
SCHEMBL25716051 0.82 CASP2 (0.59) MEN1KMT2ACASP2NAAAFAAH
SCHEMBL2019288 0.82 MEN1 (0.46) MEN1KMT2ACASP2NAAADNM1
SCHEMBL25122098 0.80 CASP2 (0.62) MEN1KMT2ACASP2NAAAFAAH
SCHEMBL8121558 0.80 MEN1 (0.45) MEN1KMT2ACASP2NAAAALDH1A1
SCHEMBL25091538 0.80 CASP2 (0.62) MEN1KMT2ACASP2NAAAFAAH
SCHEMBL2025671 0.80 MEN1 (0.45) MEN1KMT2ACASP2NAAAALDH1A1

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