SCHEMBL1971105

SCHEMBL1971105

C=C(C)C(=O)OCCOc1ccccc1.C=C(CC=C(C)C(=O)O)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
POLB P06746 3/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
THRB P10828 2/20 0.43
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL1224847 0.90 TDP1 (0.44) TDP1POLBAPEX1HTTTHRB
SCHEMBL15510927 0.88 TSHR (0.44) TDP1POLBAPEX1HTTTHRB
SCHEMBL3268510 0.86 POLB (0.39) TDP1POLBAPEX1HTTTHRB
SCHEMBL29723033 0.83 POLB (0.49) TDP1POLBAPEX1HTTTHRB
SCHEMBL372439 0.80 THRB (0.36) TDP1THRBNPC1RAB9ASMN1; SMN2
Methacrylic Acid SCHEMBL17911799 0.80 TDP1 (0.58) TDP1POLBAPEX1HTTTHRB
SCHEMBL21371 0.80 TDP1 (0.61) TDP1POLBAPEX1HTTTHRB
SCHEMBL31379996 0.80 TDP1 (0.54) TDP1POLBAPEX1HTTTHRB
Methacrylic Acid SCHEMBL9472728 0.79 CYP2D6 (0.40) THRBSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL28331865 0.79 TDP1 (0.60) TDP1POLBAPEX1HTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178597-B2 Aqueous inkjet recording ink and method for producing the same FUJIFILM CORPORATION (JP) 2012-05-15 US disclosed
EP-2090626-B1 Aqueous inkjet recording ink and method for producing the same FUJIFILM CORP (JP) 2011-06-22 EP disclosed
EP-2090626-A1 Aqueous inkjet recording ink and method for producing the same FUJIFILM Corporation (JP) 2009-08-19 EP disclosed
US-20090203823-A1 AQUEOUS INKJET RECORDING INK AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2009-08-13 US disclosed