SCHEMBL1851402

SCHEMBL1851402

CCCCC(CCC)c1ccc(O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.65
ESR2 Q92731 6/20 0.65
ADORA3 P0DMS8 3/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
LMNA P02545 2/20 0.47
CHRM2 P08172 2/20 0.47
CYP3A4 P08684 2/20 0.47
CHRM1 P11229 2/20 0.47
PTGS1 P23219 2/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL909855 0.96 ESR1 (0.58) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL7898061 0.94 ESR1 (0.62) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL27411962 0.92 ESR1 (0.61) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL8020487 0.92 ESR1 (0.61) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL25272659 0.92 ESR1 (0.55) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL984302 0.92 ESR1 (0.74) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL5046756 0.90 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL3643220 0.90 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL9354788 0.90 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3
SCHEMBL17260545 0.90 ESR1 (0.53) ESR1ESR2ADORA3SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-8557866-B2 Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom DOW AGROSCIENCES, LLC. (US) 2013-10-15 US disclosed
EP-1830641-B1 ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM DOW AGROSCIENCES LLC (US) 2011-05-25 EP disclosed
US-20080255233-A1 Isomeric mixtures of dinitro-octylphenyl esters and synergistic fungicidal mixtures therefrom DOW AGROSCIENCES LLC (US) 2008-10-16 US disclosed
EP-1830641-A1 ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM Dow AgroSciences LLC (US) 2007-09-12 EP disclosed
WO-2006044460-A1 ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM DOW AGROSCIENCES LLC (US) 2006-04-27 WO disclosed
US-5532309-A Resin composition for automobile bumper UBE INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0509662-B1 Resin composition for automobile bumper UBE INDUSTRIES (JP) 1995-12-27 EP disclosed
EP-0509662-A1 Resin composition for automobile bumper UBE INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed