SCHEMBL3373705

SCHEMBL3373705

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
FAAH O00519 4/20 0.34
POLB P06746 2/20 0.33
POLA1 P09884 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PTGS2 P35354 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.32
EPHX2 P34913 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3195458 1.00 ALOX15 (0.37) ALOX15TSHRHAO1FAAHPOLB
SCHEMBL13068947 1.00 ALOX15 (0.37) ALOX15TSHRHAO1FAAHPOLB
Lithium Ion SCHEMBL8525705 0.92 TSHR (0.32) ALOX15TSHRHAO1LMNA
SCHEMBL5727961 0.90 ALOX15 (0.37) ALOX15TSHRFAAHPOLBPTGS2
SCHEMBL28158330 0.90 TSHR (0.43) ALOX15TSHRFAAHPOLBPTGS2
SCHEMBL873163 0.90 TSHR (0.43) ALOX15TSHRFAAHPOLBPTGS2
SCHEMBL2787188 0.90 TSHR (0.43) ALOX15TSHRFAAHPOLBPTGS2
SCHEMBL874024 0.89 ALOX15 (0.41) ALOX15TSHRPOLBPTGS2HIF1A
SCHEMBL2787713 0.85 FNTA (0.43) ALOX15FAAHPOLBLMNAMAPT
SCHEMBL2787717 0.85 FNTA (0.43) ALOX15FAAHPOLBLMNAMAPT

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-0955994-B1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES PROCTER & GAMBLE (US) 2010-11-03 EP disclosed
EP-0927238-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE DERIVATIVES PROCTER & GAMBLE (US) 2003-05-21 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
US-6100233-A Odor control compositions comprising β-ketoester pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2000-08-08 US disclosed
US-6093691-A BETA-KETOESTER PROFRAGRANCES SUCH AS 3,7-DIMETHYL-1,6-OCTADIEN-3-YL 2-(BETA-NAPHTHY)-3-OXO-PROPIONATE, AND FABRIC SOFTENING INGREDIENTS SUCH AS CATIONIC FABRIC SOFTENERS, STABILIZERS THE PROCTER & GAMBLE COMPANY (US) 2000-07-25 US disclosed
US-6083892-A Automatic dishwashing detergents comprising β-ketoester pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US disclosed
EP-0922084-A2 LAUNDRY DETERGENT COMPOSITIONS COMPRISING $g(b)-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1999-06-16 EP disclosed
WO-1998007813-A2 LAUNDRY DETERGENT COMPOSITIONS COMPRISING β-KETOESTER PRO-FRAGRANCES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed