SCHEMBL5580239

SCHEMBL5580239

C=CC(=O)OC(c1ccccc1)C(C)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HCAR2 Q8TDS4 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.36
AOC3 Q16853 1/20 0.36
THRB P10828 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
NPY5R Q15761 2/20 0.35
ALOX5 P09917 1/20 0.35
CYP2C19 P33261 1/20 0.35
MTOR P42345 1/20 0.35
CYP3A4 P08684 1/20 0.35
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34

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
Hydrochloric Acid SCHEMBL7722976 0.98 ALDH1A1 (0.44) KDM4EALDH1A1HCAR2LMNAGAA
SCHEMBL4595706 0.84 HCAR2 (0.46) ALDH1A1HCAR2LMNATHRBCYP2C19
SCHEMBL24708816 0.84 THRB (0.43) ALDH1A1HCAR2LMNATHRBCYP2C19
SCHEMBL5664548 0.80 HCAR2 (0.43) KDM4EALDH1A1HCAR2LMNAAOC3
SCHEMBL373312 0.80 LMNA (0.48) KDM4EALDH1A1HCAR2LMNATHRB
Fluoride SCHEMBL28527584 0.79 HCAR2 (0.42) KDM4EALDH1A1HCAR2LMNAGAA
Bromide SCHEMBL28534138 0.79 HCAR2 (0.42) KDM4EALDH1A1HCAR2LMNAGAA
SCHEMBL5580232 0.79 ALDH1A1 (0.45) KDM4EALDH1A1HCAR2LMNAGAA
Iodide SCHEMBL22042239 0.79 HCAR2 (0.42) KDM4EALDH1A1HCAR2LMNAAOC3
Hydrochloric Acid SCHEMBL5000725 0.79 HCAR2 (0.42) KDM4EALDH1A1HCAR2LMNAAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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