SCHEMBL13717067

SCHEMBL13717067

C=C(C)C(=O)OCCOCCOP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.45
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ELANE P08246 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SRC P12931 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL222126 0.96 POLB (0.44) THRBPOLBAPEX1HTTTDP1
Methacrylic Acid SCHEMBL2511960 0.93 POLB (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL7168505 0.93 POLB (0.47) THRBPOLBAPEX1HTTTDP1
Acrylic Acid SCHEMBL21955703 0.90 THRB (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL20122659 0.90 POLB (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL3447687 0.88 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL3691946 0.88 POLB (0.48) THRBPOLBAPEX1HTTTDP1
SCHEMBL105672 0.84 ALDH1A1 (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL17678851 0.84 PKM (0.49) THRBPOLBAPEX1HTTTDP1
SCHEMBL3691295 0.83 L3MBTL1 (0.41) POLBAPEX1HTTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1956058-B1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM CORP (JP) 2009-08-12 EP disclosed
EP-1956058-A1 Ink composition for inkjet-recording and method for inkjet-recording FUJIFILM Corporation (JP) 2008-08-13 EP disclosed