SCHEMBL1966357

SCHEMBL1966357

CCC(CC)(CC)c1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.62
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ESR2 Q92731 8/20 0.52
AR P10275 3/20 0.52
TRPA1 O75762 2/20 0.46
RORC P51449 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
SCHEMBL10821684 0.87 ESR1 (0.53) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1966108 0.80 ALDH1A1 (0.61) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL56223 0.80 ALDH1A1 (0.61) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1964193 0.79 ESR1 (0.58) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL1964528 0.77 ESR1 (0.53) ESR1ALDH1A1HPGDALOX15HSD17B10
Alcohol SCHEMBL28326769 0.76 ALDH1A1 (0.83) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL20940497 0.74 ESR1 (0.59) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL29358687 0.73 ALDH1A1 (1.00) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL50705 0.73 ALDH1A1 (1.00) ESR1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL4704505 0.73 ESR1 (0.65) ESR1ALDH1A1HPGDALOX15HSD17B10

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334767-B1 FATTY ESTER COMPOSITIONS WITH IMPROVED OXIDATIVE STABILITY TAMINCO (BE) 2013-05-29 EP disclosed
US-20110154724-A1 FATTY ESTER COMPOSITIONS WITH IMPROVED OXIDATIVE STABILITY TAMINCO (BE) 2011-06-30 US disclosed
EP-2334767-A1 FATTY ESTER COMPOSITIONS WITH IMPROVED OXIDATIVE STABILITY Taminco (BE) 2011-06-22 EP disclosed
US-7851660-B1 Process for making perillyl alcohol MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2010-12-14 US disclosed
WO-2010023277-A1 FATTY ESTER COMPOSITIONS WITH IMPROVED OXIDATIVE STABILITY TAMINCO (BE) 2010-03-04 WO disclosed
US-7582126-B2 Fatty ester compositions with improved oxidative stability ARKEMA FRANCE (FR) 2009-09-01 US disclosed
WO-2007078452-A2 FATTY ESTER COMPOSITIONS WITH IMPROVED OXIDATIVE STABILITY ARKEMA FRANCE (FR) 2007-07-12 WO disclosed
US-20070137098-A1 Fatty ester compositions with improved oxidative stability ARKEMA FRANCE (FR) 2007-06-21 US disclosed
US-4456526-A USING A N,N-DIALKYLHYDROXLAMINE AND A TERTIARY-ALKYLCATECHOL ATLANTIC RICHFIELD COMPANY (US) 1984-06-26 US disclosed
US-4409408-A DIALKYLHYDROXYLAMINES, TERT-ALKYL CATECHOLS ATLANTIC RICHFIELD COMPANY (US) 1983-10-11 US disclosed