SCHEMBL9614103

SCHEMBL9614103

O=C(O)C(CCCOCc1ccc(Cl)cc1)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
FKBP1A P62942 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 3/20 0.38
SPHK1 Q9NYA1 1/20 0.37
MMP9 P14780 2/20 0.37

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
SCHEMBL9613850 0.85 PPARG (0.45) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9614112 0.84 PPARA (0.48) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9614107 0.84 PPARA (0.48) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9858450 0.84 PPARA (0.48) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9858299 0.83 PPARG (0.50) PPARGPPARA
SCHEMBL9614023 0.80 PPARA (0.47) PPARGPPARAMMP2MMP9
SCHEMBL9614046 0.80 PPARA (0.48) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9613899 0.79 TAAR1 (0.47) PPARGPPARAMEN1KMT2A
SCHEMBL27274785 0.78 PPARA (0.47) PPARGPPARAMMP2MMP9
SCHEMBL9614490 0.78 PPARA (0.53) PPARGPPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145611-A Diabetes BOEHRINGER MANNHEIM GMBH (DE) 1992-09-08 US disclosed
EP-0279162-B1 CARBONIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICALS CONTAINING THEM Roche Diagnostics GmbH (DE) 1991-06-19 EP disclosed
EP-0279162-A1 Carbonic acid derivatives, process for their preparation and pharmaceuticals containing them Roche Diagnostics GmbH (DE) 1988-08-24 EP disclosed