SCHEMBL7721715

SCHEMBL7721715

CCCNS(=O)(=O)OC(CCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.45
PPARA Q07869 7/20 0.45
MEN1 O00255 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
BLM P54132 1/20 0.40

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 0.83 PPARG (0.49) PPARGPPARAMEN1TSHRKMT2A
SCHEMBL6171190 0.79 PPARG (0.52) PPARGPPARATSHRPTGESALOX5
SCHEMBL6171187 0.79 PPARG (0.52) PPARGPPARATSHRPTGESALOX5
SCHEMBL6903818 0.76 PPARG (0.52) PPARGPPARABLM
SCHEMBL18063399 0.76 BLM (0.61) PPARGPPARAMEN1KMT2ACA9
SCHEMBL6903829 0.75 PPARG (0.49) PPARGPPARATSHRPTGESALOX5
SCHEMBL7495011 0.75 PPARG (0.61) PPARGPPARAMEN1TSHRKMT2A
SCHEMBL7721713 0.74 SMN1; SMN2 (0.49) PPARGPPARAMEN1TSHRKMT2A
SCHEMBL6515182 0.73 PPARG (0.50) PPARGPPARABLM
SCHEMBL7425913 0.73 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
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