SCHEMBL6017366

SCHEMBL6017366

CC(O)(C#CC(C)(O)c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 1/20 0.46
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 3/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL10271603 0.88 ALDH1A1 (0.41) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL172920 0.86 ALDH1A1 (0.40) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL9116909 0.86 ALDH1A1 (0.40) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL9114456 0.86 ALDH1A1 (0.40) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL523695 0.84 MAPT (0.51) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL28397568 0.83 ALDH1A1 (0.38) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL9806921 0.83 ALDH1A1 (0.42) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL15165102 0.83 ALDH1A1 (0.42) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL127044 0.80 ALDH1A1 (0.43) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL28606840 0.80 ALDH1A1 (0.43) ALDH1A1ALOX15ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022023685-A1 COMPOSITION AND USE OF THIS COMPOSITION FOR FORMING A SOL-GEL COATING ON A METAL SURFACE ARCANE INDUSTRIES (FR) 2022-02-03 WO claimed
US-7078358-B2 Low VOC cleanroom cleaning wipe AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-07-18 US claimed
EP-1050577-B1 Low voc cleanroom cleaning wipe AIR PROD & CHEM (US) 2004-07-14 EP claimed
US-20020006759-A1 Low VOC cleanroom cleaning wipe AIR PRODUCTS AND CHEMICALS, INC. 2002-01-17 US claimed
EP-1050577-A1 Low voc cleanroom cleaning wipe AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-11-08 EP claimed
WO-2022023685-A1 COMPOSITION AND USE OF THIS COMPOSITION FOR FORMING A SOL-GEL COATING ON A METAL SURFACE ARCANE INDUSTRIES (FR) 2022-02-03 WO disclosed
US-7078358-B2 Low VOC cleanroom cleaning wipe AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-07-18 US disclosed
EP-1050577-B1 Low voc cleanroom cleaning wipe AIR PROD & CHEM (US) 2004-07-14 EP disclosed
US-6500782-B1 STABLE, HOMOGENEOUS AQUEOUS CONCENTRATED HERBICIDAL COMPOSITION COMPRISING GLYPHOSATE OR ITS SALTS, ENHANCING AMOUNT OF ALKYL POLYGLYCOSIDE, AND FOAM MODERATING AMOUNT OF ACETYLENIC DIOL MONSANTO TECHNOLOGY LLC 2002-12-31 US disclosed
US-20020006759-A1 Low VOC cleanroom cleaning wipe AIR PRODUCTS AND CHEMICALS, INC. 2002-01-17 US disclosed
EP-1050577-A1 Low voc cleanroom cleaning wipe AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-11-08 EP disclosed
US-5658853-A CONTROLLING VEGETATION MONSANTO COMPANY (US) 1997-08-19 US disclosed
US-4501762-A 1/ETHYNYL-2,2,6-TRIMETHYL CYCLOHEXANOL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-02-26 US disclosed
EP-0032287-B1 PROCESS FOR PREPARING ACYL TRIMETHYL CYCLOHEXENE DERIVATIVES AND USE OF INTERMEDIATES THEREFOR IN AUGMENTING OR ENHANCING THE AROMA OR TASTE OF A CONSUMABLE MATERIAL INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-04-13 EP disclosed
US-4289145-A FILTER CIGARETTES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-09-15 US disclosed
US-4284654-A Use of 1-hydroxy-1-ethynyl-2,2,6-trimethyl cyclohexane in augmenting or enhancing the aroma or taste of foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-08-18 US disclosed
EP-0032287-A1 Process for preparing acyl trimethyl cyclohexene derivatives and use of intermediates therefor in augmenting or enhancing the aroma or taste of a consumable material INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-07-22 EP disclosed
US-4260527-A Use of 1-acetyl-22,6-trimethyl cyclohexene-1 in augmenting or enhancing the aroma of perfumes and cologne INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-04-07 US disclosed
US-4250332-A STEP-WISE SYNTHESIS OF B-DAMASCONE STARTING WITH 2,6,6-TRIMETHYL CYCLOHEX-2-ENONE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-02-10 US disclosed
US-4062901-A 2-METHYLFURAN, EPOXIDE SOLVAY & CIE. (BE) 1977-12-13 US disclosed