SCHEMBL21644486

SCHEMBL21644486

C=C(C)C(=O)OCCOCCOc1ccc(C(C)(C)c2ccc(OCCOCCC=C(C)C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
HTT P42858 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
APEX1 P27695 1/20 0.45
KDM4E B2RXH2 11/20 0.42
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.37
MAPT P10636 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL21644451 0.89 POLB (0.48) POLBHTTTDP1APEX1KDM4E
Methacrylic Acid SCHEMBL21715147 0.89 POLB (0.52) POLBHTTTDP1APEX1KDM4E
SCHEMBL19770676 0.88 POLB (0.52) POLBHTTTDP1APEX1KDM4E
SCHEMBL4453444 0.88 POLB (0.52) POLBHTTTDP1APEX1KDM4E
SCHEMBL31351511 0.88 POLB (0.52) POLBHTTTDP1APEX1KDM4E
SCHEMBL21644498 0.87 POLB (0.46) POLBHTTTDP1APEX1KDM4E
SCHEMBL21034777 0.85 KDM4E (0.53) POLBHTTTDP1APEX1KDM4E
Methacrylic Acid SCHEMBL4236287 0.85 POLB (0.56) POLBHTTTDP1APEX1KDM4E
SCHEMBL59813 0.84 POLB (0.56) POLBHTTTDP1APEX1KDM4E
SCHEMBL14173142 0.84 POLB (0.56) POLBHTTTDP1APEX1KDM4E

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-20200041848-A1 LIQUID CRYSTAL DEVICE AND METHOD OF MANUFACTURE THEREFOR JSR CORPORATION (JP) 2020-02-06 US disclosed