SCHEMBL458689

SCHEMBL458689

COC=CC=Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.64
TRPA1 O75762 3/20 0.48
NFE2L2 Q16236 1/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
ALOX5 P09917 1/20 0.48
RELA Q04206 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A1 P04798 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP1B1 Q16678 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL14681134 0.83 TRPA1 (0.54) MAOBTRPA1NFE2L2ALDH1A1RELA
SCHEMBL1399923 0.83 TRPA1 (0.54) MAOBTRPA1NFE2L2ALDH1A1RELA
SCHEMBL14910 0.83 TRPA1 (0.54) MAOBTRPA1NFE2L2ALDH1A1RELA
Hydrogen Sulfide SCHEMBL27500078 0.81 TRPA1 (0.52) MAOBTRPA1NFE2L2ALDH1A1RELA
Water SCHEMBL27875443 0.81 TRPA1 (0.52) MAOBTRPA1NFE2L2ALDH1A1RELA
SCHEMBL23458007 0.80 MAOB (1.00) MAOBTRPA1NFE2L2MAPK1ALDH1A1
Benzene SCHEMBL9803304 0.80 MAOB (1.00) MAOBTRPA1NFE2L2MAPK1ALDH1A1
SCHEMBL592744 0.80 MAOB (1.00) MAOBTRPA1NFE2L2MAPK1ALDH1A1
SCHEMBL5875512 0.80 MAOB (1.00) MAOBTRPA1NFE2L2MAPK1ALDH1A1
Benzene SCHEMBL135524 0.80 MAOB (1.00) MAOBTRPA1NFE2L2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186129-A Method for preparing cis-allyl borate and allyl alcohol from cis/trans conjugated diene mixture 成都理工大学 2023-12-08 CN claimed
US-6162572-A Toner for electrophotography HOECHST RESEARCH & TECHNOLOGY DEUTCHLAND GMBH & CO. KG 2000-12-19 US claimed
US-5814427-A RESIN BINDER, FOR REUSE OF WASTE PAPER BANDO CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 US claimed
CN-118050964-A Carrier, developer, method and apparatus for electrophotographic image formation 株式会社理光 2024-05-17 CN disclosed
US-11934146-B2 Toner and method for producing toner CANON KABUSHIKI KAISHA (JP) 2024-03-19 US disclosed
US-11934147-B2 Toner CANON KABUSHIKI KAISHA (JP) 2024-03-19 US disclosed
US-11914325-B2 Toner and method for producing toner CANON KABUSHIKI KAISHA (JP) 2024-02-27 US disclosed
US-20240061355-A1 TONER, TONER PRODUCTION METHOD, AND IMAGE-FORMING METHOD CANON KABUSHIKI KAISHA (JP) 2024-02-22 US disclosed
EP-4323842-A1 CLEANING BLADE, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE Ricoh Company, Ltd. (JP) 2024-02-21 EP disclosed
US-20240053700-A1 CLEANING BLADE, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2024-02-15 US disclosed
US-20240027929-A1 TONER CANON KABUSHIKI KAISHA (JP) 2024-01-25 US disclosed
US-4624907-A BINDER RESIN AND CHARGE CONTROLLING AND COLORING AGENT HODOGAYA CHEMICAL CO., LTD. (JP) 1986-11-25 US disclosed
US-4622281-A SEPIA, COLORFAST, DURABLE CANON KABUSHIKI KAISHA (JP) 1986-11-11 US disclosed
EP-0180655-A1 Electrophotographic toner HODOGAYA CHEMICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0059814-B1 ELECTROPHOTOGRAPHIC TONER HODOGAYA CHEMICAL CO., LTD. (JP) 1986-03-19 EP disclosed
US-4568625-A SILICONE HAVING AMINE ON SIDE CHAIN THEREOF CANON KABUSHIKI KAISHA (JP) 1986-02-04 US disclosed
US-4565763-A MELT BLENDING, PULVERIZATION CANON KABUSHIKI KAISHA (JP) 1986-01-21 US disclosed
US-4448870-A Magnetic color toner CANON KABUSHIKI KAISHA (JP) 1984-05-15 US disclosed
US-4433040-A Electrophotographic toner containing a metal complex dye HODOGAYA CHEMICAL COMPANY, LTD. (JP) 1984-02-21 US disclosed
EP-0059814-A1 Electrophotographic toner HODOGAYA CHEMICAL CO., LTD. (JP) 1982-09-15 EP disclosed