SCHEMBL9613899

SCHEMBL9613899

O=C(O)C(CCOCCOc1ccc(Cl)cc1)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
PPARG P37231 8/20 0.47
PPARA Q07869 7/20 0.47
PTGES O14684 1/20 0.41
ADAMTS5 Q9UNA0 2/20 0.41
FFAR1 O14842 2/20 0.40
SGMS1 Q86VZ5 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL9858299 0.89 PPARG (0.50) TAAR1PPARGPPARAPTGESADAMTS5
SCHEMBL9613850 0.89 PPARG (0.45) TAAR1PPARGPPARAADAMTS5MEN1
SCHEMBL9614321 0.83 CA2 (0.41) PPARGPPARAPTGESFFAR1CA1
SCHEMBL9858293 0.80 FFAR1 (0.47) TAAR1PPARGPTGESFFAR1CA12
SCHEMBL9613841 0.80 PPARG (0.43) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL9614103 0.79 PPARG (0.44) PPARGPPARAMEN1KMT2A
SCHEMBL9614490 0.77 PPARA (0.53) PPARGPPARA
SCHEMBL9614111 0.77 PPARA (0.43) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL9614114 0.77 PPARA (0.43) PPARGPPARAALDH1A1MEN1KMT2A
SCHEMBL9614107 0.76 PPARA (0.48) PPARGPPARAALDH1A1MEN1KMT2A

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-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed