SCHEMBL3693607

SCHEMBL3693607

CC(CC(C)(c1ccc(O)cc1)c1ccc(O)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.54
ESR2 Q92731 8/20 0.54
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ESRRG P62508 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TYR P14679 1/20 0.42
AR P10275 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SHBG P04278 1/20 0.40
KIF11 P52732 2/20 0.40
BLM P54132 1/20 0.39
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL3120808 0.83 ESR1 (0.51) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL12688249 0.81 ESR1 (0.51) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL3131833 0.79 ESR1 (0.51) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL52004 0.79 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL656271 0.77 ESR1 (0.49) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL10635457 0.76 ESR1 (0.47) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL5577108 0.76 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL4071655 0.74 ESR1 (0.46) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL3803356 0.74 ESR1 (0.46) ESR1ESR2CYP3A4ALDH1A1ESRRG
SCHEMBL8374002 0.74 ESR1 (0.53) ESR1ESR2CYP3A4ALDH1A1ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846569-B1 Thermally-Responsive Record Material APPLETON PAPER INC (US) 2002-02-06 EP claimed
EP-0319283-B1 THERMALLY RESPONSIVE RECORD MATERIAL APPLETON PAPERS INC. (US) 1993-06-09 EP claimed
US-4895827-A Containing cinnamic metal salt APPLETON PAPERS INC. (US) 1990-01-23 US claimed
EP-0161105-B1 RECORD MATERIAL APPLETON PAPERS INC. (US) 1989-12-20 EP claimed
US-4870047-A RESISTANCE TO FADING OR ERASURE APPLETON PAPERS INC. (US) 1989-09-26 US claimed
US-4820683-A COLORFASTNESS APPLETON PAPERS INC. (US) 1989-04-11 US claimed
US-4535347-A HYDROXYANILIDES, PHENOLIC DEVELOPERS, CHROMOGENIC COMPOUNDS; BLOOMRESISTANCE APPLETON PAPERS INC. (US) 1985-08-13 US claimed
US-4470057-A CHROMOGENIC COMPOUND, ACIDIC DEVELOPERS, AND PHENYLHYDROXYNAPHTHOATE APPLETON PAPERS INC. (US) 1984-09-04 US claimed
US-20170340955-A1 THERMALLY IMAGEABLE SUBSTRATE WITH ENCAPSULATED COREACTANT APPVION OPERATIONS, INC. 2017-11-30 US disclosed
US-9534156-B2 Linerless record material APPVION, INC. (US) 2017-01-03 US disclosed
US-20160096105-A1 Direct Thermal Variable Printing Substrate APPVION, INC. (US) 2016-04-07 US disclosed
US-20160075921-A1 LINERLESS RECORD MATERIAL APPVION, INC. (US) 2016-03-17 US disclosed
US-7648842-B2 Security paper authentication system with dual instant color APPLETON PAPERS INC. (US) 2010-01-19 US disclosed
WO-2009078904-A1 HEAT-SENSITIVE RECORD MATERIAL APPLETON PAPERS INC. (US) 2009-06-25 WO disclosed
EP-0161105-B1 RECORD MATERIAL APPLETON PAPERS INC. (US) 1989-12-20 EP disclosed
US-4870047-A RESISTANCE TO FADING OR ERASURE APPLETON PAPERS INC. (US) 1989-09-26 US disclosed
US-4820683-A COLORFASTNESS APPLETON PAPERS INC. (US) 1989-04-11 US disclosed
US-4794102-A RESISTANCE TO IMAGE ERASURE APPLETON PAPERS INC. (US) 1988-12-27 US disclosed
US-4535347-A HYDROXYANILIDES, PHENOLIC DEVELOPERS, CHROMOGENIC COMPOUNDS; BLOOMRESISTANCE APPLETON PAPERS INC. (US) 1985-08-13 US disclosed
US-4470057-A CHROMOGENIC COMPOUND, ACIDIC DEVELOPERS, AND PHENYLHYDROXYNAPHTHOATE APPLETON PAPERS INC. (US) 1984-09-04 US disclosed