SCHEMBL1011794

SCHEMBL1011794

C=C(C)C(=O)OCCN(CCO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
ELANE P08246 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 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
SCHEMBL31582668 0.94 POLB (0.44) POLBAPEX1HTTTDP1THRB
SCHEMBL554904 0.87 THRB (0.42) POLBAPEX1HTTTDP1THRB
SCHEMBL11699405 0.85 RAD52 (0.44) TDP1PPARGTSHRSMN1; SMN2ALDH1A1
SCHEMBL14505212 0.85 MAPT (0.39) POLBAPEX1HTTTDP1PPARG
SCHEMBL9312727 0.84 CRHBP (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL10608113 0.83 KDM4E (0.41) POLBAPEX1HTTTDP1THRB
SCHEMBL23848653 0.83 LMNA (0.44) POLBAPEX1HTTTDP1SMN1; SMN2
SCHEMBL1014319 0.83 POLB (0.37) POLBAPEX1HTTTDP1THRB
SCHEMBL2982149 0.82 MAPT (0.44) POLBAPEX1HTTTDP1TSHR
SCHEMBL13378764 0.82 MAPT (0.44) POLBAPEX1HTTTDP1TSHR

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-1432745-B1 REINSCRIBABLE OPTICAL RECORDING MATERIAL EXHIBITING GOOD SOLUBILITY BAYER MATERIALSCIENCE AG (DE) 2011-01-05 EP disclosed
EP-1432745-B1 REINSCRIBABLE OPTICAL RECORDING MATERIAL EXHIBITING GOOD SOLUBILITY BAYER MATERIALSCIENCE AG (DE) 2011-01-05 EP disclosed
US-7214451-B2 Rewriteable optical recording material having good solubility BAYER AKTIENGESELLSCHAFT (DE) 2007-05-08 US disclosed
US-7214451-B2 Rewriteable optical recording material having good solubility BAYER AKTIENGESELLSCHAFT (DE) 2007-05-08 US disclosed
US-7214451-B2 Rewriteable optical recording material having good solubility BAYER AKTIENGESELLSCHAFT (DE) 2007-05-08 US disclosed
WO-2003029895-A9 EFFICIENT NON-LINEAR OPTICAL POLYMERS EXHIBITING HIGH POLARISATION STABILITY BAYER AG (DE) 2004-09-02 WO disclosed
EP-1432745-A1 REINSCRIBABLE OPTICAL RECORDING MATERIAL EXHIBITING GOOD SOLUBILITY Bayer Aktiengesellschaft (DE) 2004-06-30 EP disclosed
EP-1433024-A1 EFFICIENT NON-LINEAR OPTICAL POLYMERS EXHIBITING HIGH POLARISATION STABILITY Bayer Aktiengesellschaft (DE) 2004-06-30 EP disclosed
US-20030113664-A1 Rewriteable optical recording material having good solubility COVESTRO DEUTSCHLAND AG (DE) 2003-06-19 US disclosed
US-20030096065-A1 Having a unit from an azobenzene dye; if dye is not mesogenic, polymer contains unit having mesogenic group BAYER AKTIENGESELLSCHAFT (DE) 2003-05-22 US disclosed
WO-2003029311-A1 REINSCRIBABLE OPTICAL RECORDING MATERIAL EXHIBITING GOOD SOLUBILITY BAYER AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed
WO-2003029895-A1 EFFICIENT NON-LINEAR OPTICAL POLYMERS EXHIBITING HIGH POLARISATION STABILITY BAYER AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed