SCHEMBL9099602

SCHEMBL9099602

O=S(=O)(O)c1ccccc1C1CCCC(c2ccccc2S(=O)(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.35
MYC P01106 1/20 0.35
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
MAPT P10636 2/20 0.33
TTR P02766 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 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
SCHEMBL778291 0.89 HSD11B1 (0.36) HSD11B1CA1CA2PTGS2LMNA
SCHEMBL4279326 0.87 PTGS2 (0.46) HSD11B1PTGS2LMNAMYCMAPT
SCHEMBL27952944 0.86 PTGS2 (0.45) HSD11B1PTGS2LMNAMYCMAPT
SCHEMBL9710892 0.85 PTGS2 (0.35) HSD11B1CA1CA2PTGS2LMNA
SCHEMBL9097473 0.85 HSD11B1 (0.48) HSD11B1CA1CA2PTGS2LMNA
SCHEMBL29219511 0.85 HSD11B1 (0.48) HSD11B1CA1CA2PTGS2LMNA
SCHEMBL8368970 0.81 HSD11B1 (0.41) HSD11B1LMNAMYCMAPTTTR
SCHEMBL9098064 0.79 ACHE (0.36) CA1CA2LMNACHRNB4CHRNA3
SCHEMBL9098609 0.78 HSD11B1 (0.41) HSD11B1PTGS2LMNAMAPTPTGDR2
SCHEMBL28444015 0.78 MYC (0.41) HSD11B1CA1CA2LMNAMYC

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-5489501-A MIXTURES OF TWO COORDINATION COMPOUNDS WHICH REACT TO FORM NEW COORDINATION COMPOUND WHILE CAUSING VISIBLE COLOR CHANGES RICOH COMPANY, LTD. (JP) 1996-02-06 US disclosed
US-5446011-A Imagewise coloring when heating; mixture of n-substituted indole, aromatic polyhydroxy compound, carbonyl compound and an acid RICOH COMPANY, LTD. (JP) 1995-08-29 US disclosed