SCHEMBL6907074

SCHEMBL6907074

CNS(=O)(=O)OC(CCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.49
PPARA Q07869 4/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.44
PRSS1 P07477 1/20 0.44
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
CMA1 P23946 1/20 0.44
BLM P54132 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ACE P12821 2/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL7721713 0.86 SMN1; SMN2 (0.49) PPARGPPARAMEN1KMT2AHTT
SCHEMBL7721715 0.83 PPARG (0.45) PPARGPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL6171187 0.83 PPARG (0.52) PPARGPPARATSHRBLMACE
SCHEMBL6171190 0.83 PPARG (0.52) PPARGPPARATSHRBLMACE
SCHEMBL18063399 0.80 BLM (0.61) PPARGPPARAMEN1KMT2ABLM
SCHEMBL6903818 0.80 PPARG (0.52) PPARGPPARABLMACE
SCHEMBL6903829 0.79 PPARG (0.49) PPARGPPARATSHRBLMACE
SCHEMBL7495011 0.79 PPARG (0.61) PPARGPPARAMEN1KMT2AHTT
SCHEMBL6515182 0.78 PPARG (0.50) PPARGPPARABLM
SCHEMBL7425913 0.78 PPARG (0.50) PPARGPPARABLM

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-1075463-B1 CONVERSION OF A HYDROXY GROUP IN CERTAIN ALCOHOLS INTO A FLUOROSULFONATE ESTER OR A TRIFLUOROMETHYLSULFONATE ESTER LOEWENTHAL HANS JACOB EDGAR (IL) 2004-06-16 EP disclosed