SCHEMBL9506086

SCHEMBL9506086

NCC(=O)NCCCCCSSCCCCCNC(=O)CN

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PAOX Q6QHF9 2/20 0.41
CASP2 P42575 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
NAAA Q02083 1/20 0.37
SLC6A5 Q9Y345 1/20 0.36
AOC3 Q16853 1/20 0.35

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
SCHEMBL9506089 0.91 MEN1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL14198854 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL24611784 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL16853212 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL9506141 0.84 CASP2 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL9508405 0.82 SLC6A5 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL6319788 0.82 CA2 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AHIF1A
SCHEMBL22144695 0.82 MEN1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL10276927 0.80 PAOX (0.61) ALDH1A1SMN1; SMN2MEN1KMT2APAOX
SCHEMBL19186288 0.80 PAOX (0.61) ALDH1A1SMN1; SMN2MEN1KMT2APAOX

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