SCHEMBL9555239

SCHEMBL9555239

C=C(C)C(=O)OCCS(=O)(=O)c1ccc(O)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CA2 P00918 2/20 0.37
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
THRB P10828 8/20 0.34
THRA P10827 6/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9554973 0.93 THRB (0.39) HSP90AA1HSP90AB1CA2TSHRALDH1A1
SCHEMBL9555149 0.93 HTT (0.40) HSP90AA1HSP90AB1CA2TSHRALDH1A1
SCHEMBL9554949 0.91 HTT (0.41) HSP90AA1HSP90AB1CA2TSHRALDH1A1
SCHEMBL9554718 0.83 HSP90AA1 (0.39) HSP90AA1HSP90AB1CA2TSHRALDH1A1
SCHEMBL9555297 0.79 KMT2A (0.48) CA2TSHRALDH1A1HTTTHRB
SCHEMBL9555204 0.77 ALDH1A1 (0.42) CA2TSHRALDH1A1HTTTHRB
SCHEMBL9554716 0.77 TSHR (0.42) HSP90AA1HSP90AB1CA2TSHRALDH1A1
SCHEMBL9555308 0.76 TSHR (0.38) HSP90AA1HSP90AB1CA2TSHRALDH1A1
SCHEMBL9554879 0.76 THRB (0.40) HSP90AA1HSP90AB1CA2ALDH1A1HTT
SCHEMBL8896484 0.76 ALDH1A1 (0.50) CA2ALDH1A1CA1GAAKMT2A

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
US-5235096-A Hydroxybenzenesulfone compound having a polymerizable group and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1993-08-10 US claimed
US-5235096-A Hydroxybenzenesulfone compound having a polymerizable group and process for producing the same FUJI PHOTO FILM CO., LTD. (JP) 1993-08-10 US disclosed