SCHEMBL9891657

SCHEMBL9891657

C[N+](C)(C)CCCNC(=O)NCCC[N+](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.50
ACHE P22303 3/20 0.46
PRMT1 Q99873 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
APEX1 P27695 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NFKB1 P19838 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PMP22 Q01453 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
BBOX1 O75936 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
APOBEC3A P31941 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
SCHEMBL14004334 0.91 EPHX1 (0.48) EPHX1ACHEPRMT1MEN1KMT2A
SCHEMBL9891658 0.89 KEAP1 (0.46) EPHX1ACHEMEN1KMT2AAPEX1
SCHEMBL12558670 0.86 EPHX1 (0.53) EPHX1
SCHEMBL8763339 0.83 KDM4E (0.61) ACHEMEN1KMT2AAPEX1KDM4E
Hydrochloric Acid SCHEMBL4058823 0.81 KDM4E (0.58) ACHEMEN1KMT2AAPEX1KDM4E
SCHEMBL19169878 0.81 ACHE (0.43) ACHEMEN1KMT2AAPEX1KDM4E
SCHEMBL10786698 0.81 ACHE (0.43) ACHEMEN1KMT2AAPEX1KDM4E
SCHEMBL28022583 0.81 ACHE (0.43) ACHEMEN1KMT2AAPEX1KDM4E
SCHEMBL13988525 0.79 MEN1 (0.67) ACHEMEN1KMT2ASMN1; SMN2
SCHEMBL14063475 0.79 EPHX1 (0.38) EPHX1KMT2AAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9803450-B2 Use of oligo-quaternary compositions to increase scale inhibitor lifetime in a subterranean formation ECOLAB USA INC. (US) 2017-10-31 US disclosed
US-9803450-B2 Use of oligo-quaternary compositions to increase scale inhibitor lifetime in a subterranean formation ECOLAB USA INC. (US) 2017-10-31 US disclosed
US-9624758-B2 Use of oligo-quaternary compositions to increase scale inhibitor lifetime in a subterranean formation ECOLAB USA INC. (US) 2017-04-18 US disclosed
US-20140151048-A1 USE OF OLIGO-QUATERNARY COMPOSITIONS TO INCREASE SCALE INHIBITOR LIFETIME IN A SUBTERRANEAN FORMATION CORSICANA TECHNOLOGIES, INC. (US) 2014-06-05 US disclosed
US-20140155299-A1 USE OF OLIGO-QUATERNARY COMPOSITIONS TO INCREASE SCALE INHIBITOR LIFETIME IN A SUBTERRANEAN FORMATION CORSICANA TECHNOLOGIES, INC. (US) 2014-06-05 US disclosed
US-20140151048-A1 USE OF OLIGO-QUATERNARY COMPOSITIONS TO INCREASE SCALE INHIBITOR LIFETIME IN A SUBTERRANEAN FORMATION CORSICANA TECHNOLOGIES, INC. (US) 2014-06-05 US disclosed
US-20120138473-A1 ZINC PLATING BATH ADDITIVE AND ALKALINE NON-CYANIDE ZINC PLATING BATH YUKEN INDUSTRY CO., LTD. (JP) 2012-06-07 US disclosed