SCHEMBL9508405

SCHEMBL9508405

NCCCC(=O)NCCCCCSSCCCCCNC(=O)CCCN

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.50
PAOX Q6QHF9 3/20 0.46
CASP2 P42575 1/20 0.44
KDM4A O75164 1/20 0.43
HIF1A Q16665 1/20 0.43
TET2 Q6N021 1/20 0.43
DOHH Q9BU89 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NAAA Q02083 1/20 0.42
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
FAAH O00519 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9506058 0.92 SLC6A5 (0.45) SLC6A5PAOXCASP2KDM4AHIF1A
SCHEMBL9506141 0.91 CASP2 (0.46) SLC6A5PAOXCASP2KDM4AHIF1A
SCHEMBL24895960 0.87 SLC6A5 (0.61) SLC6A5PAOXCASP2KDM4AHIF1A
SCHEMBL9505929 0.86 CA1 (0.43) SLC6A5PAOXCASP2KDM4AHIF1A
SCHEMBL14459970 0.84 SLC6A5 (0.59) SLC6A5PAOXCASP2KDM4AHIF1A
SCHEMBL9506124 0.83 SLC6A5 (0.51) SLC6A5PAOXKDM4AHIF1ATET2
SCHEMBL9506086 0.82 ALDH1A1 (0.46) SLC6A5PAOXCASP2HIF1ASMN1; SMN2
SCHEMBL9508397 0.82 CASP2 (0.39) SLC6A5PAOXCASP2KDM4AHIF1A
SCHEMBL7203302 0.82 SLC6A5 (0.67) SLC6A5PAOXCASP2KDM4AHIF1A
SCHEMBL7208464 0.82 SLC6A5 (0.67) SLC6A5PAOXCASP2KDM4AHIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed