SCHEMBL8958237

SCHEMBL8958237

O=C(O)NCCOCCOCCNC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA2 P00918 4/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
FBP1 P09467 1/20 0.34

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
SCHEMBL9447837 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8958557 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL18173574 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8958401 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8958406 0.97 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL23412771 0.93 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17144002 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
Triethylene Glycol SCHEMBL9447836 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL23636435 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL22022676 0.91 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484457-A Continuous production of surface dyeings on cellulose fiber textile materials BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
US-5224963-A Improving perspiration fastness BASF AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
US-5015754-A Cationic polyethers for fixing reative and direct dyes used for dyeing and printing cellulose textiles; washfastness BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed