SCHEMBL5580229

SCHEMBL5580229

C=C(C)C(=O)OCc1ccccc1C(C)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CASP1 P29466 1/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
ELANE P08246 1/20 0.33
ACHE P22303 3/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL4596309 0.85 TSHR (0.43) TSHRCASP1ELANEPOLBAPEX1
SCHEMBL5580234 0.81 THRB (0.39) TSHRMEN1MAPTCYP2C9KMT2A
SCHEMBL29577269 0.80 TSHR (0.44) TSHRMAPTKMT2AELANEPOLB
SCHEMBL4202389 0.80 TSHR (0.44) TSHRMAPTKMT2AELANEPOLB
SCHEMBL373288 0.77 TSHR (0.40) TSHRMAPTKMT2AELANEPOLB
SCHEMBL4596083 0.77 TSHR (0.47) TSHRMAPTCASP1ELANEPOLB
Methacrylic Acid SCHEMBL6302065 0.76 MAPT (0.41) MEN1MAPTCYP2C9KMT2ACRHBP
SCHEMBL1372181 0.76 THRB (0.42) TSHRMEN1MAPTKMT2AELANE
SCHEMBL31707533 0.76 ALDH1A1 (0.52) TSHRMAPTELANEPOLBAPEX1
SCHEMBL995952 0.74 CYP4F2 (0.45) TSHRMAPTKMT2AELANEPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024048480-A1 TONER AND IMAGE FORMING METHOD 日本ゼオン株式会社 2024-03-07 WO disclosed
US-7297202-B2 Dispersible colorant, method of producing same, aqueous ink using same, ink tank, ink jet recording apparatus, ink jet recording method, and ink jet recorded image CANON KABUSHIKI KAISHA (JP) 2007-11-20 US disclosed
US-20060124032-A1 Dispersible colorant, method of producing same, aqueous ink using same, ink tank, ink jet recording apparatus, ink jet recording method, and ink jet recorded image CANON KABUSHIKI KAISHA (JP) 2006-06-15 US disclosed
EP-1593715-A1 DISPERSE COLOR MATERIAL AND PROCESS FOR PRODUCING THE SAME, WATER-COLOR INK EMPLOYING IT, INK TANK, INKJET RECORDER, INKJET RECORDING METHOD AND INKJET RECORDED IMAGE Canon Kabushiki Kaisha (JP) 2005-11-09 EP disclosed
US-20050043434-A1 Dispersible color material and process for producing the same, water-color ink employing it, ink tank, inkjet recorder, inkjet recording method and inkjet recorded image CANON KABUSHIKI KAISHA (JP) 2005-02-24 US disclosed
US-20040244622-A1 Dispersible colorant and method for producing the same, and aqueous ink, ink tank, ink jet recorder, ink jet recording method and inkjet recorded image using the same CANON KABUSHIKI KAISHA (JP) 2004-12-09 US disclosed