SCHEMBL7721713

SCHEMBL7721713

CCOC(=O)[C@H](CCc1ccccc1)OS(=O)(=O)NC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ACE P12821 4/20 0.44
MMP8 P22894 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL6907074 0.86 PPARG (0.49) SMN1; SMN2ACEMEN1HTTKMT2A
SCHEMBL4224537 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ACEMMP8MAPTMEN1
SCHEMBL7722450 0.84 SMN1; SMN2 (0.48) SMN1; SMN2ACEMMP8MAPTMEN1
SCHEMBL5674353 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ACEMMP8MAPTHTT
SCHEMBL9773201 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ACEMMP8MAPTHTT
SCHEMBL1858577 0.82 SMN1; SMN2 (0.46) SMN1; SMN2ACEMMP8MAPTHTT
SCHEMBL6632835 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ACEMMP8MAPTMEN1
SCHEMBL6632836 0.79 SMN1; SMN2 (0.54) SMN1; SMN2ACEMMP8MAPTMEN1
SCHEMBL13902855 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ACEMMP8MAPTMEN1
SCHEMBL20676110 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ACEMMP8MAPTMEN1

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-6395918-B1 Conversion of a hydroxy group in certain alcohols into a fluorosulfonate ester or a trifluoromethylsulfonate ester LOEWENTHAL HANS JACOB EDGAR (IL) 2002-05-28 US disclosed