SCHEMBL1014319

SCHEMBL1014319

C=C(C)C(=O)OCCN(CC(O)CO)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
SCN5A Q14524 1/20 0.33
KCND3 Q9UK17 1/20 0.33
CHRNB2 P17787 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
SCHEMBL31582668 0.85 POLB (0.44) POLBAPEX1HTTTDP1THRB
SCHEMBL1011794 0.83 POLB (0.41) POLBAPEX1HTTTDP1THRB
SCHEMBL554904 0.81 THRB (0.42) POLBAPEX1HTTTDP1THRB
SCHEMBL9312727 0.79 CRHBP (0.46) POLBAPEX1HTTTDP1KDM4E
SCHEMBL10608113 0.78 KDM4E (0.41) POLBAPEX1HTTTDP1KDM4E
SCHEMBL1256483 0.77 MTNR1A (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL1011793 0.76 POLB (0.40) POLBAPEX1HTTTDP1THRB
SCHEMBL22493862 0.76 TSHR (0.33) POLBAPEX1HTTTDP1KDM4E
SCHEMBL65014 0.76 TSHR (0.40) POLBAPEX1HTTTDP1LMNA
Hydrochloric Acid SCHEMBL1229428 0.76 MTNR1A (0.47) POLBAPEX1HTTTDP1THRB

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
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
EP-1432745-A1 REINSCRIBABLE OPTICAL RECORDING MATERIAL EXHIBITING GOOD SOLUBILITY 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