SCHEMBL1966108

SCHEMBL1966108

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ESR1 P03372 11/20 0.60
ESR2 Q92731 6/20 0.50
AR P10275 3/20 0.50
TRPA1 O75762 1/20 0.45
RORC P51449 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
KLF10 Q13118 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL20940497 0.88 ESR1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL11319965 0.85 ESR1 (0.70) TDP1ESR1ESR2AR
SCHEMBL1964125 0.84 ESR1 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL56223 0.83 ALDH1A1 (0.61) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL20234039 0.82 ESR1 (0.46) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL1966357 0.80 ESR1 (0.62) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL19431278 0.79 MAOB (0.50) ALDH1A1TDP1MEN1GAAKMT2A
Alcohol SCHEMBL28326769 0.78 ALDH1A1 (0.83) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL15457979 0.77 HSP90AA1 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10960065 0.77 ESR1 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2692796-A1 COMPOSITION Sumitomo Chemical Co., Ltd (JP) 2014-02-05 EP disclosed
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
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-4628132-A DIALKYLAMINE, DIALKYLHYDROXYLAMINE, ALKALI METAL SALT OF TERT-ALKYL CATECHOL ATLANTIC RICHFIELD COMPANY (US) 1986-12-09 US disclosed
US-4511457-A N,N*-PHENOTHIAZINE DIMER, TERT-ALKYL CATECHOL OR HYDROQUINONE ATLANTIC RICHFIELD COMPANY (US) 1985-04-16 US disclosed
US-4487981-A ADDING N,N' DIMER OF PHENOTHIAZINE AND AN ALKYL CATECHOL OR ALKYL HYDROQUINONE ATLANTIC RICHFIELD COMPANY (US) 1984-12-11 US disclosed
US-4456526-A USING A N,N-DIALKYLHYDROXLAMINE AND A TERTIARY-ALKYLCATECHOL ATLANTIC RICHFIELD COMPANY (US) 1984-06-26 US disclosed
US-4434307-A N,N-DIARYLHYDROXYLAMINE, MONO-OR DI-TERT-BUTYL CATECHOL OR HYDROQUINONE ATLANTIC RICHFIELD COMPANY (US) 1984-02-28 US disclosed
US-4409408-A DIALKYLHYDROXYLAMINES, TERT-ALKYL CATECHOLS ATLANTIC RICHFIELD COMPANY (US) 1983-10-11 US disclosed