SCHEMBL644250

SCHEMBL644250

C=CC(=O)Oc1ccc(C(C)(C)c2ccc(O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.53
ESR2 Q92731 3/20 0.53
CYP3A4 P08684 2/20 0.53
AR P10275 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR6 P50406 1/20 0.53
ESRRG P62508 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HSD17B10 Q99714 1/20 0.53
THRB P10828 2/20 0.49
ALDH1A1 P00352 3/20 0.47
ELANE P08246 6/20 0.46
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH5A1 P51649 1/20 0.39

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
SCHEMBL202339 0.93 THRB (0.54) ESR1ESR2CYP3A4ARHPGD
SCHEMBL2584694 0.93 THRB (0.54) ESR1ESR2CYP3A4ARHPGD
SCHEMBL3282012 0.90 ESR1 (0.43) ESR1ESR2CYP3A4ARHPGD
SCHEMBL15803539 0.88 THRB (0.50) ESR1ESR2CYP3A4ARHPGD
SCHEMBL15803521 0.88 THRB (0.50) ESR1ESR2CYP3A4ARHPGD
SCHEMBL16488504 0.87 THRB (0.49) THRBALDH1A1ELANELMNAKDM4E
SCHEMBL5899549 0.87 THRB (0.49) HSD17B10THRBALDH1A1LMNAKDM4E
SCHEMBL813584 0.87 KDM4E (0.51) ESR1ESR2CYP3A4THRBALDH1A1
SCHEMBL5899677 0.87 THRB (0.49) CYP3A4HSD17B10THRBALDH1A1ELANE
SCHEMBL140760 0.86 THRB (0.56) ESR1ESR2THRBELANETYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0102199-B2 Dental restorative compositions having improved mechanical properties and hydrolytic stability DENTSPLY RES & DEV (US) 1996-06-12 EP claimed
EP-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP claimed
US-5110889-A Lower alkyl ether acrylates of polyols; coatings DIAMOND SHAMROCK CHEMICAL CO. (US) 1992-05-05 US claimed
EP-0222059-A2 Improved radiation-hardenable diluents HENKEL CORPORATION (a Delaware corp.) (US) 1987-05-20 EP claimed
EP-0102199-B1 DENTAL RESTORATIVE COMPOSITIONS HAVING IMPROVED MECHANICAL PROPERTIES AND HYDROLYTIC STABILITY DENTSPLY RESEARCH & DEVELOPMENT CORP. (US) 1987-02-04 EP claimed
EP-1416902-B1 HARDENABLE SELF-SUPPORTING STRUCTURES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2014-09-24 EP disclosed
US-8436103-B2 Star polymer and method of producing the same NIPPON SODA CO., LTD. (JP) 2013-05-07 US disclosed
US-8436103-B2 Star polymer and method of producing the same NIPPON SODA CO., LTD. (JP) 2013-05-07 US disclosed
EP-2341510-B1 Blockcopolymer solid electrolyte, ion-conductive membrane and process for producing the blockcopolymer NIPPON SODA CO (JP) 2012-10-31 EP disclosed
US-20120077085-A1 POSITIVE ELECTRODE FOR NON-AQUEOUS ELECTROLYTE BATTERYAND NON-AQUEOUS ELECTROLYTE BATTERY SAKITANI NOBUHIRO (JP) 2012-03-29 US disclosed
US-20120077085-A1 POSITIVE ELECTRODE FOR NON-AQUEOUS ELECTROLYTE BATTERYAND NON-AQUEOUS ELECTROLYTE BATTERY SAKITANI NOBUHIRO (JP) 2012-03-29 US disclosed
US-8142929-B2 Positive electrode for non-aqueous electrolyte battery and non-aqueous electrolyte battery SANYO ELECTRIC CO., LTD. (JP) 2012-03-27 US disclosed
US-5159119-A Monomethyl ether of trans 1,4-cyclohexanedimethylol DIAMOND SHAMROCK CHEMICALS COMPANY (US) 1992-10-27 US disclosed
EP-0222059-B1 IMPROVED RADIATION-HARDENABLE DILUENTS HENKEL CORPORATION (a Delaware corp.) (US) 1992-07-08 EP disclosed
US-5110889-A Lower alkyl ether acrylates of polyols; coatings DIAMOND SHAMROCK CHEMICAL CO. (US) 1992-05-05 US disclosed
EP-0266513-B1 MODIFIED REACTIVE RESIN, PROCESS FOR ITS PREPARATION AND ITS USE hanse chemie GmbH (DE) 1991-12-04 EP disclosed
US-5053554-A Monomethyl ether of an ethoxylated or propoxylated(2 average) neopentyl glycol; nonvolatile coating formulation; fact cure; low viscosity; shrinkage inhibition; rheology DIAMOND SHAMROCK CHEMICAL COMPANY 1991-10-01 US disclosed
US-4876384-A ALKYL ETHER ACRYLATES AND METHACRYLATES OF ALKOXYLATED AND NONALKOXYLATED POLYOLS; LOW VISCOSITY; SHRINKAGE INHIBITION DIAMOND SHAMROCK CHEMICALS CO. (US) 1989-10-24 US disclosed
EP-0266513-A2 Modified reactive resin, process for its preparation and its use hanse chemie GmbH (DE) 1988-05-11 EP disclosed
EP-0222059-A2 Improved radiation-hardenable diluents HENKEL CORPORATION (a Delaware corp.) (US) 1987-05-20 EP disclosed