SCHEMBL3375272

SCHEMBL3375272

CC=CC(=O)CC1C(C)=CCC(C)C1(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKCA P17252 1/20 0.32
RASGRP3 Q8IV61 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
SCHEMBL3375271 1.00 ALDH1A1 (0.33) ALDH1A1CYP3A4ALOX15TDP1PRKCA
SCHEMBL6941490 0.78 ALDH1A1 (0.32) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10946057 0.76 TSHR (0.33) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11466472 0.76 TSHR (0.33) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11466470 0.76 TSHR (0.33) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL11466471 0.76 TSHR (0.33) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL10946060 0.76 TSHR (0.33) ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL29402647 0.75 TSHR (0.34) PRKCARASGRP3
SCHEMBL29403609 0.75 TSHR (0.34) PRKCARASGRP3
SCHEMBL2426817 0.73 TSHR (0.37) PRKCARASGRP3

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 23 patents — showing the first 20. 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
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
US-6100233-A Odor control compositions comprising β-ketoester pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2000-08-08 US disclosed
US-6083892-A Automatic dishwashing detergents comprising β-ketoester pro-fragrances THE PROCTER & GAMBLE COMPANY (US) 2000-07-04 US disclosed
EP-0955994-A1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES THE PROCTER & GAMBLE COMPANY (US) 1999-11-17 EP disclosed
EP-0951274-A1 FRAGRANCE DELIVERY SYSTEMS THE PROCTER & GAMBLE COMPANY (US) 1999-10-27 EP disclosed
EP-0922083-A2 AUTOMATIC DISHWASHING DETERGENTS 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-1998007810-A2 HAND-WASH LAUNDRY DETERGENT COMPOSITIONS COMPRISING BETA-KETOESTER PRO-FRAGRANCES 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-1998007407-A1 FRAGRANCE DELIVERY SYSTEMS FOR PERSONAL CARE ARTICLES THE PROCTER & GAMBLE COMPANY (US) 1998-02-26 WO disclosed