SCHEMBL17800992

SCHEMBL17800992

C=C(C)C(=O)OCCOCCO.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
APEX1 P27695 2/20 0.51
HTT P42858 1/20 0.51
THRB P10828 1/20 0.43
KDM4E B2RXH2 2/20 0.38
TSHR P16473 3/20 0.36
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
ACE2 Q9BYF1 1/20 0.34
PTPN11 Q06124 2/20 0.34
MYC P01106 1/20 0.33
SORT1 Q99523 1/20 0.33
RARB P10826 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL7043398 0.92 POLB (0.56) POLBTDP1APEX1HTTTHRB
SCHEMBL2787758 0.89 POLB (0.52) POLBTDP1APEX1HTTTHRB
Di(Hydroxyethyl)Ether SCHEMBL18860216 0.88 KDM4E (0.43) POLBTDP1APEX1HTTKDM4E
SCHEMBL12394952 0.87 POLB (0.47) POLBTDP1APEX1HTTTHRB
SCHEMBL4066747 0.87 POLB (0.47) POLBTDP1APEX1HTTTHRB
SCHEMBL12394951 0.87 POLB (0.47) POLBTDP1APEX1HTTTHRB
Methacrylic Acid SCHEMBL2127460 0.86 POLB (0.39) POLBTDP1APEX1HTTKDM4E
Phthalic Acid SCHEMBL11648033 0.85 THRB (0.49) POLBTDP1APEX1HTTTHRB
Phthalic Acid SCHEMBL5416343 0.85 THRB (0.49) POLBTDP1APEX1HTTTHRB
SCHEMBL543628 0.84 POLB (0.56) POLBTDP1APEX1HTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160161847-A1 NEGATIVE-TYPE PHOTOSENSITIVE WHITE COMPOSITION FOR TOUCH PANEL, TOUCH PANEL AND TOUCH PANEL PRODUCTION METHOD TORAY INDUSTRIES, INC. (JP) 2016-06-09 US disclosed