SCHEMBL5859533

SCHEMBL5859533

COc1ccc(CC(CCCOB(O)OCCCC(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.45
SLC6A4 P31645 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CALM1 P0DP23 1/20 0.39
LTA4H P09960 1/20 0.39
PSMB5 P28074 1/20 0.38
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ENPP2 Q13822 1/20 0.37

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
Tetramethylammonium Ion SCHEMBL8395219 0.96 LDHA (0.42) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8629639 0.89 LDHA (0.39) LDHASLC6A4CYP1A2CYP2D6CYP2C19
Tetrabuthylammonium SCHEMBL8397701 0.89 LDHA (0.37) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8400038 0.88 USP2 (0.37) LDHASLC6A4CYP1A2CYP2D6PSMB5
SCHEMBL8398554 0.78 CYP1A2 (0.39) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8396337 0.78 CYP1A2 (0.39) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL9509178 0.76 SLC6A4 (0.50) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8396343 0.75 CYP1A2 (0.37) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8397689 0.75 ALDH1A1 (0.40) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL27752613 0.75 CALM1 (0.45) CALM1LTA4HPOLBIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087353-B2 Non-contact heat fixing toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2006-08-08 US disclosed
US-20040142263-A1 Non-contact heat fixing toner KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. 2004-07-22 US disclosed
EP-0613058-B1 Light-decolorizable recording material SHOWA DENKO KK (JP) 1999-06-02 EP disclosed
US-5846682-A Light decolorizable recording material, ink and toner SHOWA DENKO K.K. (JP) 1998-12-08 US disclosed
EP-0661598-B1 Decolorizable toner and a decolorizable toner production process SHOWA DENKO KK (JP) 1998-09-16 EP disclosed
US-5607803-A Decolorizable toner and a decolorizable toner production process SHOWA DENKO K.K. (JP) 1997-03-04 US disclosed
EP-0661598-A1 Decolorizable toner and a decolorizable toner production process SHOWA DENKO KABUSHIKI KAISHA (JP) 1995-07-05 EP disclosed
EP-0613058-A1 Light-decolorizable recording material SHOWA DENKO KABUSHIKI KAISHA (JP) 1994-08-31 EP disclosed