SCHEMBL5709

SCHEMBL5709

[CH2]C(C)(C)C1CCCCCCC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
SSTR4 P31391 1/20 0.31

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
SCHEMBL350254 1.00 EPHX1 (0.31) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL3813341 1.00 EPHX1 (0.31) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL5118 1.00 EPHX1 (0.31) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL5022 0.97
SCHEMBL5689 0.90
SCHEMBL349126 0.83
SCHEMBL28746805 0.77 EPHX1 (0.33) EPHX1SSTR4
SCHEMBL879449 0.75 LMNA (0.38) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL9897847 0.75 LMNA (0.38) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL8502985 0.75 LMNA (0.38) EPHX1GAAPKMTDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
EP-2758388-B1 NEW BICYCLIC DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-02-21 EP disclosed
CN-104619705-B Non- cyclic thienyl amides as the inhibitor of fatty acid binding protein (FABP) 4 and/or 5 霍夫曼-拉罗奇有限公司 2018-01-02 CN disclosed
EP-2838883-B1 NEW PHENYL-TETRAHYDROISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
CN-103958478-B Bicyclic dihydroisoquinolin-1-one derivatives 霍夫曼-拉罗奇有限公司 2017-08-01 CN disclosed
CN-104245674-B Phenyl-tetrahydroisoquinoline derivatives 霍夫曼-拉罗奇有限公司 2017-07-11 CN disclosed
CN-104583197-B New bicyclicpyridine derivatives 霍夫曼-拉罗奇有限公司 2017-05-17 CN disclosed
EP-0389162-B1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES (JP) 1993-12-08 EP disclosed
EP-0274064-B1 2,5,6,7-TETRANOR-18,18,19,19-TETRADEHYDRO-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-03-18 EP disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4880939-A ANTISECRETORY AGENTS, HYPOTENSIVES, ANTICOAGULANTS TORAY INDUSTRIES (JP) 1989-11-14 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0274064-A2 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1988-07-13 EP disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 EP disclosed