SCHEMBL2467478

SCHEMBL2467478

c1ccc(CC(c2ccccc2)C2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
IDO1 P14902 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR3C2 P08235 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 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
SCHEMBL13285866 0.83 MEN1 (0.44) MEN1KMT2APKMCTDSP1NR3C2
SCHEMBL5781131 0.82 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL10453959 0.81 MEN1 (0.53) MEN1KMT2APKMCTDSP1SLC6A2
SCHEMBL3966889 0.81 MEN1 (0.53) MEN1KMT2APKMCTDSP1SLC6A2
SCHEMBL27485816 0.80 CYP1A2 (0.45) PKMCTDSP1SLC6A2SLC6A4SLC6A3
SCHEMBL1005727 0.79 MEN1 (0.54) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL2465315 0.79 PKM (0.62) MEN1KMT2APKMCTDSP1SLC6A2
SCHEMBL3121803 0.79 MEN1 (0.54) MEN1KMT2APKMCTDSP1SLC6A2
SCHEMBL8921364 0.79 MEN1 (0.54) MEN1KMT2APKMCTDSP1SLC6A2
SCHEMBL2085660 0.79 MEN1 (0.58) MEN1KMT2APKMCTDSP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1201182-C Liquid crystal display contg. chiral dopant MERCK PATENT GMBH (DE) 2005-05-11 CN claimed
CN-1420382-A Liquid crystal display contg. chiral dopant MERCK PATENT GMBH (DE) 2003-05-28 CN claimed
CN-110325522-A Liquid crystal compounds 默克专利股份有限公司 2019-10-11 CN disclosed
CN-109996791-A Single fluorination hexamethylene 默克专利股份有限公司 2019-07-09 CN disclosed
CN-109476995-A Liquid-crystal compounds 默克专利股份有限公司 2019-03-15 CN disclosed
CN-109476996-A Difluorstilbene derivatives 默克专利股份有限公司 2019-03-15 CN disclosed
CN-108368426-A Cinnamic acid derivative 默克专利股份有限公司 2018-08-03 CN disclosed
CN-108368428-A The manufacturing method and liquid crystal compound of liquid crystal display device 默克专利股份有限公司 2018-08-03 CN disclosed
CN-108291148-A Naphthalene compound for liquid crystal compound 默克专利股份有限公司 2018-07-17 CN disclosed
CN-107580622-A Thiadiazoles and quinoxaline derivant 默克专利股份有限公司 2018-01-12 CN disclosed
CN-106045953-A Fluorinated dibenzofuran and dibenzothiophene derivative 默克专利股份有限公司 2016-10-26 CN disclosed
CN-1394862-A Chiral compound MERCK PATENT GMBH (DE) 2003-02-05 CN disclosed
CN-1223657-A Chiral dopants MERCK PATENT GMBH (DE) 1999-07-21 CN disclosed
CN-1211743-A Multi-domain STN LCD comprising fluorinated polyimide alignment layers MERCK PATENT GMBH (DE) 1999-03-24 CN disclosed
CN-1178550-A Electro-optical liquid crystal display MERCK PATENT GMBH (DE) 1998-04-08 CN disclosed
CN-1172496-A Electro-optic liquid crystal display MERCK PATENT GMBH (DE) 1998-02-04 CN disclosed
US-5205962-A Stable liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-27 US disclosed
CN-1040024-A 2, the 3-Difluorophenol derivatives MERCK PATENT GMBH (DE) 1990-02-28 CN disclosed
EP-0332024-A1 Heterocyclic derivatives of 1,2-difluorobenzene MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed
EP-0332007-A1 Derivatives of 2,3-difluorohydroquinone MERCK PATENT GmbH (DE) 1989-09-13 EP disclosed