SCHEMBL2451376

SCHEMBL2451376

CCCCCCCC/C=C\CCCCCCCC(=O)NCC[N+](C)(CCO)CCNC(=O)CCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 2/20 0.67
TRPV1 Q8NER1 2/20 0.67
MEN1 O00255 2/20 0.67
BLM P54132 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 1/20 0.67
ALOX12 P18054 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
EPHX2 P34913 2/20 0.60
TRPM8 Q7Z2W7 1/20 0.60
FAAH O00519 1/20 0.60
KCNK3 O14649 1/20 0.60
CNR2 P34972 1/20 0.60
SLC6A5 Q9Y345 1/20 0.59

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
Sulfuric Acid SCHEMBL29001433 0.94 CNR1 (0.60) CNR1ALDH1A1HPGDTRPV1MEN1
Hydrochloric Acid SCHEMBL3973778 0.92 CNR1 (0.64) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL9396489 0.92 NAAA (0.57) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL23440261 0.90 CNR1 (0.55) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL21240005 0.89 EPHX2 (0.63) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL2185711 0.85 CNR1 (0.65) CNR1ALDH1A1HPGDTRPV1MEN1
Hydrochloric Acid SCHEMBL5339345 0.84 CNR1 (0.64) CNR1ALDH1A1HPGDTRPV1MEN1
Hydrochloric Acid SCHEMBL5339340 0.84 CNR1 (0.64) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL2163579 0.84 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1
Oleoylethanolamide SCHEMBL4243460 0.84 CNR1 (0.91) CNR1ALDH1A1HPGDTRPV1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492864-B1 FABRIC SOFTENER COMPOSITION AND METHODS FOR MANUFACTURING AND USING ECOLAB INC (US) 2011-09-14 EP claimed
EP-1492864-A1 FABRIC SOFTENER COMPOSITION AND METHODS FOR MANUFACTURING AND USING ECOLAB INC. (US) 2005-01-05 EP claimed
WO-2003087282-A1 FABRIC SOFTENER COMPOSITION AND METHODS FOR MANUFACTURING AND USING ECOLAB INC. (US) 2003-10-23 WO claimed
US-20030195130-A1 Fabric softener composition and methods for manufacturing and using ECOLAB USA INC. 2003-10-16 US claimed
EP-1439810-A1 ANHYDROUS COSMETIC COMPOSITIONS CONTAINING QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2004-07-28 EP disclosed
WO-2003037280-A1 ANHYDROUS COSMETIC COMPOSITIONS CONTAINING QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2003-05-08 WO disclosed