SCHEMBL21644451

SCHEMBL21644451

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RARB P10826 5/20 0.43
THRB P10828 2/20 0.40
KDM4E B2RXH2 2/20 0.39
RARA P10276 1/20 0.39
LMNA P02545 1/20 0.37
MMP2 P08253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 4/20 0.34
HDAC4 P56524 4/20 0.34
HDAC1 Q13547 4/20 0.34
HDAC7 Q8WUI4 4/20 0.34
HDAC2 Q92769 4/20 0.34
HDAC10 Q969S8 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC8 Q9BY41 4/20 0.34

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
SCHEMBL21644506 0.94 POLB (0.51) POLBAPEX1HTTTDP1RARB
SCHEMBL21644498 0.91 POLB (0.46) POLBAPEX1HTTTDP1RARB
SCHEMBL21644486 0.89 POLB (0.45) POLBAPEX1HTTTDP1THRB
SCHEMBL7537131 0.86 POLB (0.47) POLBAPEX1HTTTDP1THRB
SCHEMBL29723033 0.85 POLB (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL25123439 0.84 POLB (0.56) POLBAPEX1HTTTDP1RARB
SCHEMBL25796434 0.84 POLB (0.56) POLBAPEX1HTTTDP1RARB
Methacrylic Acid SCHEMBL20496128 0.83 THRB (0.44) THRBKDM4ELMNAMEN1KMT2A
SCHEMBL21644456 0.82 POLB (0.39) POLBAPEX1HTTTDP1RARB
SCHEMBL27859695 0.82 POLB (0.39) POLBAPEX1HTTTDP1RARB

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