SCHEMBL4393922

SCHEMBL4393922

C=C(C)C(=O)NCCCC(NC)(NC)NC.COS(=O)(=O)O

nearest known ligand 0.32

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL4391034 0.91
Sulfuric Acid SCHEMBL8720469 0.82 TGFBR1 (0.33)
SCHEMBL15846659 0.80 ACHE (0.44)
SCHEMBL4387233 0.80 ZDHHC20 (0.47) MAPK1
SCHEMBL316761 0.78 TGFBR1 (0.32)
SCHEMBL16114711 0.77 EPHX1 (0.36) KDM4E
SCHEMBL127975 0.77 KDM4E (0.46) KDM4E
Trimethylammonium SCHEMBL1707073 0.77 ACHE (0.41)
Hydrochloric Acid SCHEMBL18141865 0.75 ACHE (0.33) KDM4EMAPK1HIF1A
Water SCHEMBL28888819 0.75 KDM4E (0.44) KDM4E

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-6905814-B1 Use of film-forming titanium dioxide dispersions for cleaning and disinfecting surfaces, film-forming titanium dioxide dispersions RHODIA CHIMIE 2005-06-14 US claimed
US-4791161-A CONTAINING UNSATURATED TERTIARY NITROGEN COMPOUNDS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-12-13 US claimed
US-4525519-A POLYMERIZATION IN AQUEOUS DISPERSION OF UNSATURATED NITROGEN COMPOUND AND CATIONIC EMULSION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-06-25 US claimed
US-8883262-B2 Modification of solid surfaces by application of polymer associations thereon RHODIA OPERATIONS (FR) 2014-11-11 US disclosed
US-20090306292-A1 MODIFICATION OF SOLID SURFACES BY APPLICATION OF POLYMER ASSOCIATIONS THEREON RHODIA RECHERCHES ET TECHNOLOGIES (FR) 2009-12-10 US disclosed
US-4791161-A CONTAINING UNSATURATED TERTIARY NITROGEN COMPOUNDS RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1988-12-13 US disclosed
US-4525519-A POLYMERIZATION IN AQUEOUS DISPERSION OF UNSATURATED NITROGEN COMPOUND AND CATIONIC EMULSION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-06-25 US disclosed