SCHEMBL10050684

SCHEMBL10050684

C=C(C)C(=O)OCCOc1ccc(C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
POLB P06746 1/20 0.60
APEX1 P27695 1/20 0.60
HTT P42858 1/20 0.60
ELANE P08246 1/20 0.49
NPC1 O15118 3/20 0.48
L3MBTL1 Q9Y468 5/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.44
MAPK1 P28482 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL649098 0.93 HTT (0.60) TDP1POLBAPEX1HTTNPC1
SCHEMBL2405588 0.89 POLB (0.60) TDP1POLBAPEX1HTTELANE
SCHEMBL1067982 0.89 HTT (0.64) TDP1POLBAPEX1HTTELANE
SCHEMBL19985112 0.89 POLB (0.60) TDP1POLBAPEX1HTTELANE
SCHEMBL11997927 0.88 HTT (0.56) TDP1POLBAPEX1HTTNPC1
SCHEMBL29173669 0.87 TDP1 (0.59) TDP1POLBAPEX1HTTELANE
SCHEMBL2401999 0.87 POLB (0.59) TDP1POLBAPEX1HTTELANE
SCHEMBL454606 0.86 POLB (0.67) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL12376911 0.86 HTT (0.53) TDP1POLBAPEX1HTTNPC1
SCHEMBL15084291 0.85 HTT (0.81) TDP1POLBAPEX1HTTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150132544-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed
US-20150132544-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2015-05-14 US disclosed
US-20120213978-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-08-23 US disclosed
US-20120213978-A1 INK COMPOSITION, IMAGE FORMING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2012-08-23 US disclosed
US-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
EP-2228417-A1 Ink composition and inkjet recording method Fujifilm Corporation (JP) 2010-09-15 EP disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed