SCHEMBL1228640

SCHEMBL1228640

NC(=O)NCCO.NC(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 4/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
NFKB1 P19838 2/20 0.37
LMNA P02545 2/20 0.37
CA5A P35218 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
THPO P40225 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL27663 1.00
SCHEMBL32684120 0.97
SCHEMBL28064222 0.97
SCHEMBL8020141 0.97
Oxalic Acid SCHEMBL29215671 0.92 ALDH1A1 (0.42) ALDH1A1MEN1USP2MAPTKMT2A
Monoethanolamine SCHEMBL6872043 0.92 ALDH1A1 (0.42) ALDH1A1MEN1USP2MAPTKMT2A
Glycerin SCHEMBL19206969 0.85 ALDH1A1 (0.48) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL30816421 0.84 ALDH1A1 (0.36) ALDH1A1MEN1USP2MAPTKMT2A
Acrylic Acid SCHEMBL28515781 0.83 LMNA (0.43) ALDH1A1MEN1USP2MAPTKMT2A
SCHEMBL175234 0.83 TDP1 (0.46) ALDH1A1USP2TDP1KDM4EHSD17B10

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-2459606-A1 HYBRID COPOLYMER COMPOSITIONS Akzo Nobel N.V. (NL) 2012-06-06 EP disclosed
EP-2459607-A1 HYBRID COPOLYMER COMPOSITIONS FOR PERSONAL CARE APPLICATIONS Akzo Nobel N.V. (NL) 2012-06-06 EP disclosed
WO-2011017223-A1 HYBRID COPOLYMER COMPOSITIONS FOR PERSONAL CARE APPLICATIONS AKZO NOBEL N.V. (NL) 2011-02-10 WO disclosed
WO-2011014783-A1 HYBRID COPOLYMER COMPOSITIONS AKZO NOBEL N.V. (NL) 2011-02-03 WO disclosed