SCHEMBL9719403

SCHEMBL9719403

C=C(C)C(=O)OCCOc1cc(Br)c(C(C)(C)c2c(Br)cc(OCCOC(=O)C(=C)C)cc2Br)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
THRB P10828 2/20 0.41
TSHR P16473 3/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
RECQL P46063 1/20 0.31
GSTP1 P09211 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL14944759 0.82 POLB (0.54) POLBAPEX1HTTTDP1THRB
SCHEMBL11679195 0.79 ELANE (0.41) MAPT
SCHEMBL25068493 0.79 POLB (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL672151 0.78 ALDH1A1 (0.43) POLBAPEX1HTTTDP1THRB
SCHEMBL15339017 0.77 POLB (0.50) POLBAPEX1HTTTDP1THRB
SCHEMBL11175137 0.77 THRB (0.42) POLBAPEX1HTTTDP1THRB
SCHEMBL9580207 0.77 THRB (0.46) POLBAPEX1HTTTDP1THRB
SCHEMBL15500176 0.76 ALDH1A1 (0.40) POLBAPEX1HTTTDP1THRB
SCHEMBL20364324 0.76 POLB (0.49) POLBAPEX1HTTTDP1THRB
SCHEMBL14036917 0.76 TDP1 (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5171806-A Phenylmaleimide, dially diphenate, bisphenol ester; lenses NIPPON SHEET GLASS CO., LTD. (JP) 1992-12-15 US disclosed