SCHEMBL4838451

SCHEMBL4838451

C=CC(=O)NC(CC)(NC(=O)C=C)[N+](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL3901307 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Hydrochloric Acid SCHEMBL8376782 0.77 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
Hydrogen Sulfide SCHEMBL28295812 0.75 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL17350190 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL8766001 0.74 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL9752701 0.73 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL1907643 0.72 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL4909167 0.72 ALDH1A1 (0.44) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL460924 0.72 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL3319888 0.71 ALDH1A1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723308-B2 COSMETIC COMPOSITION COMPRISING AT LEAST ONE PARTICULAR AMPHOTERIC POLYMER AND AT LEAST ONE PARTICULAR CONDITIONING AGENT OREAL (FR) 2023-08-30 EP claimed
EP-3164702-B1 USE OF FLUORESCENT POLYMERS IN MARKING COMPOSITIONS FOR THE DIAGNOSTIC DETERMINATION OF CLEANING PERFORMANCE ECOLAB USA INC (US) 2020-12-09 EP claimed
EP-3122854-B1 CLEANING COMPOSITIONS CONTAINING CATIONIC POLYMERS IN AN AES-ENRICHED SURFACTANT SYSTEM PROCTER & GAMBLE (US) 2020-09-09 EP claimed
EP-3504312-B1 HARD SURFACE TREATMENT COMPOSITION UNILEVER NV (NL) 2020-05-13 EP claimed
EP-3186350-B1 DETERGENT COMPOSITION COMPRISING A CATIONIC POLYMER PROCTER & GAMBLE (US) 2019-10-09 EP claimed
EP-2938578-B9 TAGGED TREATMENT POLYMERS CONTAINING FLUORESCENT MONOMERS FOR USE IN INDUSTRIAL WATER SYSTEMS ECOLAB USA INC (US) 2017-12-27 EP claimed
EP-2938578-B1 TAGGED TREATMENT POLYMERS CONTAINING FLUORESCENT MONOMERS FOR USE IN INDUSTRIAL WATER SYSTEMS ECOLAB USA INC (US) 2017-09-20 EP claimed
EP-2723308-B1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE PARTICULAR AMPHOTERIC POLYMER AND AT LEAST ONE PARTICULAR CONDITIONING AGENT L'ORÉAL (FR) 2017-08-02 EP claimed
EP-1292266-B1 PYRIDOXINE AS NOVEL COUPLING COMPONENT FOR OXIDATIVE HAIR DYES HENKEL KGAA (DE) 2005-11-16 EP claimed
EP-0086066-B1 USE OF A QUATERNIZED POLYAMIDOAMINES AS DEMULSIFIERS THE DOW CHEMICAL COMPANY (US) 1986-11-05 EP claimed
EP-1277463-B2 Foaming composition of silica and cationic polymer ORÉAL L (FR) 2014-08-13 EP disclosed
EP-1277463-B1 Foaming composition of silica and cationic polymer OREAL (FR) 2008-01-02 EP disclosed
EP-1277463-A1 Foaming composition of silica and cationic polymer L'OREAL (FR) 2003-01-22 EP disclosed