SCHEMBL4820101

SCHEMBL4820101

CCCC1(c2ccc(C#N)cc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.40
CYP19A1 P11511 1/20 0.39
SLC6A3 Q01959 12/20 0.38
SLC6A4 P31645 12/20 0.38
SLC6A2 P23975 7/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ICMT O60725 1/20 0.36

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
SCHEMBL10606455 0.95 SLC6A3 (0.43) CYP2A6CYP19A1SLC6A3SLC6A4SLC6A2
SCHEMBL25801663 0.91 CYP2A6 (0.44) CYP2A6CYP19A1SLC6A3SLC6A4SLC6A2
SCHEMBL14861187 0.90 CNR2 (0.43) CYP2A6CYP19A1SLC6A3SLC6A4SLC6A2
SCHEMBL8734995 0.89 CNR2 (0.48) CYP2A6CYP19A1SLC6A3SLC6A4SLC6A2
SCHEMBL8735120 0.88 CNR2 (0.50) CYP19A1SLC6A3SLC6A4SLC6A2CNR1
SCHEMBL11138914 0.86 CYP2A6 (0.42) CYP2A6CYP19A1SLC6A3SLC6A4SLC6A2
SCHEMBL10721091 0.85 TSHR (0.49) SLC6A3SLC6A4SLC6A2CNR1CNR2
SCHEMBL11574164 0.84 TSHR (0.51) SLC6A3SLC6A4SLC6A2CNR1CNR2
SCHEMBL9013703 0.84 CNR2 (0.44) CYP19A1SLC6A3SLC6A4SLC6A2CNR1
SCHEMBL9014405 0.84 CNR2 (0.42) CYP19A1SLC6A3SLC6A4SLC6A2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0050426-B1 LIQUID CRYSTAL DISPLAY DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 1984-05-23 EP claimed
EP-0050426-A1 Liquid crystal display device KABUSHIKI KAISHA TOSHIBA (JP) 1982-04-28 EP claimed
JP-58147487-A None JP disclosed
CN-117015738-A Light control sheet, light control device, photosensitive composition, and method for producing light control sheet 凸版印刷株式会社 2023-11-07 CN disclosed
WO-2013055317-A1 LIQUID CRYSTALS WITH SWITCHABLE WETTABILITY FOR CELL SORTING EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-04-18 WO disclosed
US-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US disclosed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US disclosed
US-7115307-B2 Nematic liquid crystal mixtures for bistable display device NEMOPTIC (FR) 2006-10-03 US disclosed
EP-0418362-B1 TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES MERCK PATENT GMBH (DE) 1995-01-04 EP disclosed
US-5209868-A Liquid crystal medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-05-11 US disclosed
EP-0418362-A1 TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-03-27 EP disclosed
EP-0173369-A1 Picture display cell Koninklijke Philips Electronics N.V. (NL) 1986-03-05 EP disclosed
EP-0142617-A1 Pleochroic anthraquinone dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-05-29 EP disclosed
US-4464282-A ANTHRAQUINONE PLEOCHROIC DYE FOR LIQUID CRYSTALS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN AND NORTHERN IRELAND (GB) 1984-08-07 US disclosed
US-4455253-A FOR LIQUID CRYSTAL DISPLAYS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-06-19 US disclosed
EP-0050426-B1 LIQUID CRYSTAL DISPLAY DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 1984-05-23 EP disclosed
US-4446047-A Pleochroic anthraquinone dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-01 US disclosed
JP-S58147487-A LIQUID CRYSTAL COMPOSITION SHARP CORP 1983-09-02 JP disclosed
EP-0059036-A1 Pleochroic anthraquinone dyes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-01 EP disclosed
EP-0050426-A1 Liquid crystal display device KABUSHIKI KAISHA TOSHIBA (JP) 1982-04-28 EP disclosed