SCHEMBL933028

SCHEMBL933028

CC(C)c1ccccc1C(C)C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 2/20 0.50
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
LMNA P02545 2/20 0.46
FAAH O00519 2/20 0.46
GABRB1 P18505 2/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL4378835 0.82 GABRA1 (0.58) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL20477576 0.80 GABRA1 (0.41) GABRA1GABRB2GABRG2GABRB3LMNA
Formamide SCHEMBL28288284 0.80 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3LMNA
SCHEMBL2550047 0.79 ESR1 (0.46) GABRA1GABRB2TSHRSLC6A2ALDH1A1
SCHEMBL9165865 0.79 ESR1 (0.46) GABRA1GABRB2TSHRSLC6A2ALDH1A1
Hydrogen Peroxide SCHEMBL99126 0.79 GABRA1 (0.65) GABRA1GABRB2GABRG2GABRB3LMNA
Hydrogen Peroxide SCHEMBL29394264 0.79 GABRA1 (0.65) GABRA1GABRB2GABRG2GABRB3LMNA
Hydrogen Peroxide SCHEMBL20593356 0.79 GABRA1 (0.65) GABRA1GABRB2GABRG2GABRB3LMNA
Hydrogen Peroxide SCHEMBL30120583 0.79 GABRA1 (0.65) GABRA1GABRB2GABRG2GABRB3LMNA
Hydrogen Peroxide SCHEMBL35519 0.79 GABRA1 (0.65) GABRA1GABRB2GABRG2GABRB3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692047-A1 HYDROLYTICALLY LABILE SILYL ENOL ETHER FRAGRANCE KETONES OR ALDEHYDES Henkel AG & Co. KGaA (DE) 2020-08-12 EP claimed
WO-2019068505-A1 HYDROLYTICALLY LABILE SILYL ENOL ETHER FRAGRANCE KETONES OR ALDEHYDES HENKEL AG & CO. KGAA (DE) 2019-04-11 WO claimed
EP-2364186-A2 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES Henkel AG & Co. KGaA (DE) 2011-09-14 EP claimed
WO-2010066486-A2 PHOTOLABILE FRAGRANCE STORAGE SUBSTANCES HENKEL AG & CO. KGAA (DE) 2010-06-17 WO claimed
EP-2144987-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS Henkel AG & Co. KGaA (DE) 2010-01-20 EP claimed
WO-2008145470-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS HENKEL AG & CO. KGAA (DE) 2008-12-04 WO claimed
EP-0731717-A1 ANTI-SMOKE PERFUMES AND COMPOSITIONS QUEST INTERNATIONAL B.V. (NL) 1996-09-18 EP claimed
WO-1995015186-A1 ANTI-SMOKE PERFUMES AND COMPOSITIONS QUEST INTERNATIONAL B.V. (NL) 1995-06-08 WO claimed
EP-4167954-A1 CHEMICALLY CROSS-LINKED ELASTOMERS FORMED BY MICHAEL ADDITION AND COMPOSITIONS COMPRISING SUCH ELASTOMERS Nanometics LLC (D.B.A. Phd Biosciences) (US) 2023-04-26 EP disclosed
EP-4149999-A1 NON-ISOCYANATE POLYURETHANE ELASTOMERS AND COMPOSITIONS COMPRISING SUCH ELASTOMERS Nanometics LLC (D.B.A. Phd Biosciences) (US) 2023-03-22 EP disclosed
EP-4107325-A1 TEXTILE TREATMENT COMPOSITION Henkel AG & Co. KGaA (DE) 2022-12-28 EP disclosed
EP-4004173-A1 MOULDED BODIES CONTAINING ACTIVE SUBSTANCES AND METHOD FOR THE PRODUCTION THEREOF Henkel AG & Co. KGaA (DE) 2022-06-01 EP disclosed
EP-4004170-A1 SHAPED PRODUCTS THAT CONTAIN AN ACTIVE SUBSTANCE AND PRODUCTION METHOD THEREOF Henkel AG & Co. KGaA (DE) 2022-06-01 EP disclosed
EP-3973042-A1 FABRIC CONDITIONING COMPOSITION Rhodia Operations (FR) 2022-03-30 EP disclosed
US-20070287194-A1 Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound S.S.C.I., INC 2007-12-13 US disclosed
US-20070088508-A1 Cocrystallization methods APTUIT (WEST LAFAYETTE), LLC 2007-04-19 US disclosed
EP-1639071-A2 LIPOPHILIC FLUID CLEANING COMPOSITIONS CAPABLE OF DELIVERING SCENT THE PROCTER & GAMBLE COMPANY (US) 2006-03-29 EP disclosed
WO-2005003434-A2 LIPOPHILIC FLUID CLEANING COMPOSITIONS CAPABLE OF DELIVERING SCENT THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 WO disclosed
EP-1246899-A1 PRO-PERFUME COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2002-10-09 EP disclosed
WO-2001051599-A1 PRO-PERFUME COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2001-07-19 WO disclosed