SCHEMBL9813093

SCHEMBL9813093

Cc1ccc(O)cc1S(=O)(=O)OCCN(CCCN(CCOS(=O)(=O)c1cc(O)ccc1C)S(=O)(=O)c1cc(O)ccc1C)S(=O)(=O)c1cc(O)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
GAA P10253 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
ATM Q13315 1/20 0.34
APEX1 P27695 2/20 0.33
HTT P42858 1/20 0.33
PDE2A O00408 1/20 0.33
PDE5A O76074 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PDE4A P27815 1/20 0.33
BLM P54132 1/20 0.33
PDE1B Q01064 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
SCHEMBL9813110 0.90 MEN1 (0.37) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL11385199 0.83 ALDH1A1 (0.43) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL2347168 0.83 ALDH1A1 (0.43) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL8795201 0.83 GAA (0.45) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL11334473 0.80 ESR2 (0.45) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL8459792 0.79 ALDH1A1 (0.44) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL3907809 0.79 ALDH1A1 (0.45) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL872880 0.77 ALDH1A1 (0.41) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL11446428 0.77 ALDH1A1 (0.41) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL9340848 0.75 ALDH1A1 (0.52) ALDH1A1PKMLMNASMN1; SMN2MEN1

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
EP-0304780-B1 PROCESS FOR LABELLING SUBSTANCES WITH TECHNETIUM OR RHENIUM HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-07 EP disclosed