SCHEMBL8958158

SCHEMBL8958158

NC(=O)NCCOCCOCCOCCOCCNC(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA4 P22748 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PYGL P06737 1/20 0.33
EPHX2 P34913 1/20 0.33
MTNR1A P48039 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL8958306 1.00 CA2 (0.53) CA2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8958384 1.00 CA2 (0.53) CA2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8958443 1.00 CA2 (0.53) CA2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8958454 0.97 CA2 (0.50) CA2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6285604 0.91 MEN1 (0.48) CA2MEN1KMT2ASMN1; SMN2LMNA
Tetraethylene Glycol SCHEMBL8958300 0.91 MEN1 (0.48) CA2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20284334 0.91 CA2 (0.47) CA2MEN1KMT2ASMN1; SMN2LMNA
Triethylene Glycol SCHEMBL8958148 0.91 MEN1 (0.48) CA2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL28405040 0.91 CA2 (0.47) CA2MEN1KMT2ASMN1; SMN2LMNA
Ethylene Glycol SCHEMBL8958377 0.90 CA2 (0.46) CA2MEN1KMT2ASMN1; SMN2LMNA

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