SCHEMBL9613850

SCHEMBL9613850

O=C(O)C(CCOCCc1ccc(Cl)cc1)S(=O)(=O)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.45
PPARA Q07869 5/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MMP2 P08253 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PLAAT3 P53816 2/20 0.37
PLAAT5 Q96KN8 2/20 0.37
PLAAT2 Q9NWW9 2/20 0.37
PLAAT4 Q9UL19 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
SCHEMBL9614321 0.92 CA2 (0.41) PPARGPPARAMMP8MMP13
SCHEMBL9613841 0.91 PPARG (0.43) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9613899 0.89 TAAR1 (0.47) PPARGPPARAMEN1KMT2AADAMTS5
SCHEMBL9614103 0.85 PPARG (0.44) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9613878 0.84 PPARA (0.47) PPARGPPARAMEN1KMT2AMMP2
SCHEMBL9858450 0.82 PPARA (0.48) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9614112 0.82 PPARA (0.48) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9614107 0.82 PPARA (0.48) PPARGPPARAMEN1KMT2AHTT
SCHEMBL9613989 0.82 PPARA (0.43) PPARGPPARAMMP2LMNAMAPT
SCHEMBL9858299 0.81 PPARG (0.50) PPARGPPARAMMP3ADAMTS5TAAR1

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