SCHEMBL4089780

SCHEMBL4089780

O=C(c1ccccc1C(=O)N(CCO)CCO)N(CCO)CCO

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.67
TRPV1 Q8NER1 2/20 0.44
TSHR P16473 4/20 0.44
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
KEAP1 Q14145 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
LIMK2 P53671 1/20 0.38

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
SCHEMBL21561693 0.92 TP53 (0.58) TP53TRPV1TSHRKDM4EL3MBTL1
SCHEMBL30589672 0.90 TP53 (0.56) TP53TRPV1TSHRKDM4EL3MBTL1
SCHEMBL6884317 0.90 TP53 (0.56) TP53TRPV1TSHRKDM4EL3MBTL1
SCHEMBL3401575 0.87 AKR1C3 (0.53) TP53TRPV1TSHRALDH1A1MAPT
SCHEMBL8665699 0.86 TSHR (0.57) TP53TRPV1TSHRMAPK1KMT2A
SCHEMBL21472132 0.85 MEN1 (0.61) TP53TRPV1TSHRALDH1A1MEN1
SCHEMBL23308705 0.81 TP53 (0.43) TP53TRPV1KDM4EL3MBTL1ALDH1A1
SCHEMBL154607 0.80 HPGD (0.53) TP53KDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL23308722 0.79 TP53 (0.44) TP53TRPV1KDM4EKMT2A
SCHEMBL9103370 0.79 TP53 (0.49) TP53TRPV1TSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1728836-B1 INK-JET INK AND METHOD FOR INKJET RECORDING CANON KK (JP) 2017-05-10 EP claimed
US-7297194-B2 Ink jet ink and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2007-11-20 US claimed
EP-1728836-B1 INK-JET INK AND METHOD FOR INKJET RECORDING CANON KK (JP) 2017-05-10 EP disclosed
EP-1728645-B1 LIQUID COMPOSITION, SET OF LIQUID COMPOSITION AND INK, INK-JET RECORDING DEVICE AND METHOD FOR FORMING IMAGE CANON KK (JP) 2012-06-06 EP disclosed
US-7517073-B2 Liquid composition, set of liquid composition and ink, ink jet recording apparatus, and image forming method CANON KABUSHIKI KAISHA (JP) 2009-04-14 US disclosed
US-7297194-B2 Ink jet ink and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2007-11-20 US disclosed
EP-1728836-A1 INK-JET INK AND METHOD FOR INKJET RECORDING Canon Kabushiki Kaisha (JP) 2006-12-06 EP disclosed
EP-1728645-A1 LIQUID COMPOSITION, SET OF LIQUID COMPOSITION AND INK, INK-JET RECORDING DEVICE AND METHOD FOR FORMING IMAGE Canon Kabushiki Kaisha (JP) 2006-12-06 EP disclosed
US-20060007289-A1 Liquid composition, set of liquid composition and ink, ink jet recording apparatus, and image forming method CANON KABUSHIKI KAISHA (JP) 2006-01-12 US disclosed
US-20050284332-A1 Ink; water, a colorant, a water-soluble polyhydric alcohol having an amide bond and a water-soluble organic compound of urea, ethylene glycol, 2-pyrrolidone, ethylene urea, glycerol and diethylene glycol; suppresses curling, ejection stability CANON KABUSHIKI KAISHA 2005-12-29 US disclosed
EP-0028469-B1 AQUEOUS THERMOSETTING COATING COMPOSITIONS CONTAINING A WATER-SOLUBLE HYDROXY-AMIDO COMPOUND IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-11-02 EP disclosed
EP-0028469-A1 Aqueous thermosetting coating compositions containing a water-soluble hydroxy-amido compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-05-13 EP disclosed