SCHEMBL1011793

SCHEMBL1011793

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRM1 P11229 3/20 0.37
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
THRB P10828 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 1/20 0.36
ELANE P08246 1/20 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
SCHEMBL1011170 0.82 POLB (0.43) POLBAPEX1HTTTDP1TSHR
SCHEMBL31582668 0.81 POLB (0.44) POLBAPEX1HTTTDP1TSHR
SCHEMBL1256483 0.81 MTNR1A (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL2811300 0.80 TDP1 (0.43) POLBAPEX1HTTTDP1TSHR
SCHEMBL9407799 0.80 TDP1 (0.43) POLBAPEX1HTTTDP1TSHR
SCHEMBL1326466 0.80 HTT (0.43) POLBAPEX1HTTTDP1TSHR
Hydrochloric Acid SCHEMBL1229428 0.80 MTNR1A (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL1484039 0.77 POLB (0.48) POLBAPEX1HTTTDP1TSHR
SCHEMBL554904 0.77 THRB (0.42) POLBAPEX1HTTTDP1TSHR
SCHEMBL1014319 0.76 POLB (0.37) 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 9 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
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