SCHEMBL3371269

SCHEMBL3371269

CCCCCCCCC=CCCCCCCCC(=O)OC(C)[N+](C)(C)C(C)OC(=O)CCCCCCCC=CCCCCCCCC.COS(=O)(=O)[O-]

nearest known ligand 0.53

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 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.53
PRKCA P17252 2/20 0.48
PRKCE Q02156 1/20 0.48
PRKCQ Q04759 1/20 0.48
PRKCD Q05655 1/20 0.48
LMNA P02545 2/20 0.46
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
DAGLA Q9Y4D2 1/20 0.45
FABP3 P05413 5/20 0.44
DGKA P23743 1/20 0.44
LPAR1 Q92633 1/20 0.44

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
SCHEMBL407260 0.92 LMNA (0.53) SLC6A5LMNAALDH1A1MAPT
SCHEMBL6944333 0.90 SLC6A5 (0.59) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL5824303 0.90 SLC6A5 (0.50) SLC6A5PRKCAPRKCEPRKCQPRKCD
Hydrochloric Acid SCHEMBL5344792 0.88 SLC6A5 (0.57) SLC6A5PRKCAPRKCEPRKCQPRKCD
Hydrochloric Acid SCHEMBL2872039 0.88 SLC6A5 (0.57) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL6740155 0.88 SLC6A5 (0.51) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL16611500 0.88 SLC6A5 (0.48) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL22319402 0.86 SLC6A5 (0.54) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL14809228 0.86 SLC6A5 (0.51) SLC6A5PRKCAPRKCEPRKCQPRKCD
SCHEMBL29449493 0.86 SLC6A5 (0.54) SLC6A5PRKCAPRKCEPRKCQPRKCD

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 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946699-B1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY PROCTER & GAMBLE (US) 2003-10-15 EP claimed
EP-0906395-B1 POLYAMINES HAVING FABRIC APPEARANCE ENHANCEMENT BENEFITS PROCTER & GAMBLE (US) 2002-08-14 EP claimed
EP-0704522-B1 Dryer-activated fabric conditioning compositions containing unsaturated fatty acid PROCTER & GAMBLE (US) 2001-11-28 EP claimed
US-6277796-B1 ACETAL COMPOUND THE PROCTER & GAMBLE COMPANY 2001-08-21 US claimed
US-6143713-A FOR USE IN AUTOMATIC LAUNDRY DRYERS; PROVIDES FABRIC SOFTENING, ANTISTATIC PROPERTIES, COLOR AND WHITENESS FIDELITY THE PROCTER & GAMBLE COMPANY (US) 2000-11-07 US claimed
EP-1019479-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 2000-07-19 EP claimed
EP-0843717-B1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY PROCTER & GAMBLE (US) 2000-03-22 EP claimed
EP-0712441-B1 DRYER-ACTIVATED FABRIC CONDITIONING COMPOSITIONS CONTAINING ETHOXYLATED/PROPOXYLATED SUGAR DERIVATIVES PROCTER & GAMBLE (US) 1999-10-20 EP claimed
EP-0946699-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1999-10-06 EP claimed
EP-0946700-A1 RINSE-ADDED AND DRYER-ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF ESTER FRAGRANCE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1999-10-06 EP claimed
US-5562847-A QUATERNARY AMMONIUM SOFTENING COMPOUND AND THE ESTER OF A PERFUME ALCOHOL THE PROCTER & GAMBLE COMPANY (US) 1996-10-08 US claimed
US-5559088-A DIESTERS OF NON-ALLYLIC ALCOHOLS SLOWLY HYDROLYZE TO RELEASE PERFUME GRADUALLY THE PROCTOR & GAMBLE COMPANY (US) 1996-09-24 US claimed
EP-0712435-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS CONTAINING BIODEGRADABLE COMPOUNDS HAVING UNSATURATION THE PROCTER & GAMBLE COMPANY (US) 1996-05-22 EP claimed
EP-0712441-A1 DRYER-ACTIVATED FABRIC CONDITIONING COMPOSITIONS CONTAINING ETHOXYLATED/PROPOXYLATED SUGAR DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1996-05-22 EP claimed
EP-0704522-A2 Dryer-activated fabric conditioning compositions containing unsaturated fatty acid THE PROCTER & GAMBLE COMPANY (US) 1996-04-03 EP claimed
US-5503756-A ALSO CONTAINING FABRIC SOFTENER CONSISTING OF BIODEGRADABLE QUATERNARY AMMONIUM COMPOUND, ALKOXYLATED SUGAR DERIVATIVE HAVING LONG HYDROPHOBIC GROUP, CARBOXYLIC ACID SALT OF TERTIARY AMINE THE PROCTER & GAMBLE COMPANY (US) 1996-04-02 US claimed
US-5476599-A Containing a quaternary ammonium compound and a tertiary amine salt of a carboxylic acid THE PROCTER & GAMBLE COMPANY (US) 1995-12-19 US claimed
WO-1995004802-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS CONTAINING BIODEGRADABLE COMPOUNDS HAVING UNSATURATION THE PROCTER & GAMBLE COMPANY (US) 1995-02-16 WO claimed
WO-1995004811-A1 DRYER-ACTIVATED FABRIC CONDITIONING COMPOSITIONS CONTAINING ETHOXYLATED/PROPOXYLATED SUGAR DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1995-02-16 WO claimed
US-5376287-A With carboxylic acid salt of tertiary amine cosoftener; improved antistatic effects THE PROCTER & GAMBLE COMPANY (US) 1994-12-27 US claimed