SCHEMBL8957673

SCHEMBL8957673

C=C(C)C(=O)OCCOC(C)Oc1ccc(C(C)(C)c2ccc(OC(C)OC(C)OC(C)OCCOC(=O)C(=C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
THRB P10828 1/20 0.34
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 5/20 0.34
AR P10275 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 3/20 0.33
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL7625149 0.99 POLB (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL8957655 0.99 POLB (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL9067301 0.99 POLB (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL8957790 0.99 POLB (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL8957747 0.99 POLB (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL8957677 0.99 POLB (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL9071097 0.99 POLB (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL8957785 0.99 POLB (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL7622864 0.98 POLB (0.38) HTTTDP1POLBAPEX1THRB
SCHEMBL6904852 0.94 POLB (0.40) HTTTDP1POLBAPEX1THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US claimed
US-5556931-A LENSES TOKUYAMA CORPORATION (JP) 1996-09-17 US disclosed
EP-0691550-A2 Polymerizable composition and organic glass TOKUYAMA CORPORATION (JP) 1996-01-10 EP disclosed