SCHEMBL6985652

SCHEMBL6985652

C=C(C)C(=O)OCCO.C=Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 5/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MCL1 Q07820 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
LMNA P02545 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NT5E P21589 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
SCHEMBL28116495 0.89 THRB (0.43) TDP1POLBAPEX1HTTTHRB
SCHEMBL4566748 0.88 TDP1 (0.54) TDP1POLBAPEX1HTTTHRB
SCHEMBL2116688 0.88 TDP1 (0.40) TDP1POLBAPEX1HTTTHRB
SCHEMBL9312827 0.84 TDP1 (0.49) TDP1POLBAPEX1HTTTHRB
4-Vinylphenol SCHEMBL9490113 0.83 THRB (0.39) TDP1POLBAPEX1HTTTHRB
SCHEMBL9126871 0.83 CA1 (0.44) TDP1POLBAPEX1HTTTHRB
Styrene SCHEMBL9305623 0.82 TDP1 (0.43) TDP1POLBAPEX1HTTTHRB
SCHEMBL21248289 0.82 TDP1 (0.64) TDP1TSHRMCL1TAS1R3TAS1R1
Styrene SCHEMBL409075 0.82 TDP1 (0.43) TDP1POLBAPEX1HTTTHRB
SCHEMBL6024939 0.81 SNCA (0.40) TDP1POLBAPEX1HTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831365-B1 Imaging element containing an electrically-conductive polymer blend EASTMAN KODAK CO (US) 2003-01-02 EP claimed
US-9505713-B2 High-purity sodium p-styrenesulfonate with excellent hue, method for producing the same, poly(sodium p-styrenesulfonate) with excellent hue using the same, and dispersant and synthetic starch for clothing finishing using the poly(sodium p-styrenesulfonate) TOSOH ORGANIC CHEMICAL CO., LTD (JP) 2016-11-29 US disclosed