SCHEMBL3220293

SCHEMBL3220293

CCCOC(C)OCCC=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.43
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
PTPN1 P18031 2/20 0.35
GABRR1 P24046 2/20 0.33
GABRR2 P28476 2/20 0.33
BLM P54132 2/20 0.33
GABRR3 A8MPY1 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PPARA Q07869 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 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
SCHEMBL5342266 0.75 HCAR2 (0.56) HCAR2TSHR
SCHEMBL7641963 0.75 HCAR2 (0.56) HCAR2TSHR
SCHEMBL11208946 0.74 LMNA (0.38) LMNA
(2Z)-Hexenoic Acid SCHEMBL3504637 0.73
(2E)-Hexenoic Acid SCHEMBL23615 0.73
(2E)-Hexenoic Acid SCHEMBL27373174 0.73 TSHR (0.50) HCAR2TAS1R3TAS1R1PTPN1GABRR1
(2E)-Hexenoic Acid SCHEMBL3048610 0.73 TSHR (0.50) HCAR2TAS1R3TAS1R1PTPN1GABRR1
(2E)-Hexenoic Acid SCHEMBL23614 0.73
(2E)-Hexenoic Acid SCHEMBL27152675 0.72 HCAR2 (0.45) HCAR2TAS1R3TAS1R1PTPN1GABRR1
(2E)-Hexenoic Acid SCHEMBL7927817 0.71

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
US-7678752-B2 Fabric care composition comprising organosilicone microemulsion and anionic/nitrogen-containing surfactant system THE PROCTER & GAMBLE COMPANY (US) 2010-03-16 US disclosed
EP-1313828-B2 FABRIC CARE COMPOSITIONS COMPRISING CATIONIC SILICONES AND METHODS EMPLOYING SAME PROCTER & GAMBLE (US) 2009-10-14 EP disclosed
US-20070225198-A1 Fabric care compositions and systems comprising organosilicone microemulsions and methods employing same PROCTER & GAMBLE COMPANY, THE 2007-09-27 US disclosed
EP-1313828-B1 FABRIC CARE COMPOSITIONS COMPRISING CATIONIC SILICONES AND METHODS EMPLOYING SAME PROCTER & GAMBLE (US) 2006-10-11 EP disclosed
US-6903061-B2 Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same THE PROCTER & GAMBLE COMPANY (US) 2005-06-07 US disclosed
US-20020103094-A1 Fabric care and perfume compositions and systems comprising cationic silicones and methods employing same THE PROCTER & GAMBLE COMPANY 2002-08-01 US disclosed