SCHEMBL6445153

SCHEMBL6445153

CCOc1ccc(S(=O)(=O)c2ccc(OCC)c(O)c2O)c(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HTT P42858 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MCOLN3 Q8TDD5 2/20 0.41
TRPV4 Q9HBA0 1/20 0.40
TSHR P16473 5/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL34116 0.84 L3MBTL1 (0.43) ALDH1A1HTTMAPTNPSR1L3MBTL1
SCHEMBL7068652 0.76 TRPV4 (0.45) ALDH1A1HTTTRPV4TSHRMAPT
SCHEMBL230235 0.74 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL7108847 0.71 ALDH1A1 (0.50) ALDH1A1HTTMAPTNPSR1L3MBTL1
Sulfuric Acid SCHEMBL23541092 0.70 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL14760916 0.70 MAPT (0.51) ALDH1A1KMT2ATSHRMAPTLMNA
SCHEMBL5042464 0.70 ALDH1A1 (0.49) ALDH1A1TSHRLMNAL3MBTL1KDM4E
SCHEMBL7172816 0.70 MAPT (0.46) ALDH1A1MAPTNPSR1L3MBTL1CA12
SCHEMBL4959365 0.70 TUBB1 (0.42) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL9491704 0.69 PTGS1 (0.43) ALDH1A1HTTMEN1KMT2ATSHR

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-6956072-B1 Thermoplastic resin composition and molded object thereof POLYPLASTICS CO., LTD. (JP) 2005-10-18 US disclosed