SCHEMBL3376679

SCHEMBL3376679

CCCCC(CCC)OC(=O)CC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.49
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FAAH O00519 4/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
EPHX2 P34913 1/20 0.36
PRKCA P17252 2/20 0.36
PRKCD Q05655 2/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36

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
SCHEMBL28041885 0.89 FAAH (0.49) MAPTMAPK1LMNAALDH1A1FAAH
SCHEMBL6135594 0.86 CTSK (0.47) CTSKMAPTMAPK1CA1CA2
SCHEMBL152234 0.85 CTSK (0.49) CTSKMAPTMAPK1CA1CA2
SCHEMBL3281994 0.84 FAAH (0.44) CTSKMAPTMAPK1MGAMGAA
SCHEMBL12722931 0.83 PLA2G2C (0.48) MAPTMAPK1LMNAALDH1A1
SCHEMBL16010234 0.82 MAPT (0.53) CTSKMAPTMAPK1LMNAALDH1A1
SCHEMBL29379967 0.82 CTSK (0.49) CTSKMAPTMAPK1CA1CA2
SCHEMBL11290039 0.82 CTSK (0.46) CTSKMAPTMAPK1MGAMGAA
SCHEMBL28582577 0.82 MAPK1 (0.36) CTSKMAPTMAPK1MGAMGAA
SCHEMBL3257600 0.81 CTSK (0.47) CTSKMAPTMAPK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 US claimed
EP-0955994-B1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES PROCTER & GAMBLE (US) 2010-11-03 EP disclosed
EP-1707185-A1 Solvent materials and methods for preparing fragrance compositions INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2006-10-04 EP disclosed
EP-0922084-B1 LAUNDRY DETERGENT COMPOSITIONS COMPRISING BETA-KETOESTER PRO-FRAGRANCES PROCTER & GAMBLE (US) 2002-11-13 EP disclosed
US-6184188-B1 LAUNDRY DETERGENT COMPRISING SPECIFIED BETA-KETO ESTER ?PRO-FRAGRANCES? SUCH AS 3,7-DIMETHYL-1,6-OCTADIEN-3-YL 1-(2-NAPHTHYL)-3-OXO-PROPIONATE, AND A DETERSIVE SURFACTANT, AND CARRIERS THE PROCTER & GAMBLE COMPANY 2001-02-06 US disclosed
US-6150310-A Laundry detergent compositions comprising β-ketoester pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2000-11-21 US disclosed
US-6147037-A Fragrance delivery systems THE PROCTER & GAMBLE COMPANY (US) 2000-11-14 US disclosed
EP-0922085-B1 FRAGRANCE DELIVERY SYSTEM FOR LIQUID DETERGENT COMPOSITIONS PROCTER & GAMBLE (US) 2000-10-11 EP disclosed
US-6126953-A BETA-KETOESTER PRO-ACCORDS, WHICH ARE CAPABLE OF RELEASING MIXTURES OF FRAGRANCE RAW MATERIALS. THE PROCTER & GAMBLE COMPANY (US) 2000-10-03 US disclosed
EP-1027419-A1 LAUNDRY COMPOSITIONS HAVING REDUCED MALODOR AND METHODS FOR PROVIDING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2000-08-16 EP disclosed
EP-0922084-A2 LAUNDRY DETERGENT COMPOSITIONS COMPRISING $g(b)-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1999-06-16 EP disclosed
WO-1999021954-A1 LAUNDRY COMPOSITIONS HAVING REDUCED MALODOR AND METHODS FOR PROVIDING THE SAME THE PROCTER & GAMBLE COMPANY (US) 1999-05-06 WO disclosed
WO-1998007809-A2 HARD SURFACE CLEANERS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007405-A1 FRAGRANCE DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007455-A1 ODOR CONTROL COMPOSITIONS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007814-A2 FRAGRANCE DELIVERY SYSTEM FOR LIQUID DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007812-A2 AUTOMATIC DISHWASHING DETERGENTS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007813-A2 LAUNDRY DETERGENT COMPOSITIONS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007810-A2 HAND-WASH LAUNDRY DETERGENT COMPOSITIONS COMPRISING BETA-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed
WO-1998007407-A1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed