SCHEMBL5989151

SCHEMBL5989151

COC(=O)CCc1ccc(SCC[C@@H](C)OS(C)(=O)=O)cc1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.34
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33
PPARG P37231 10/20 0.33
PPARD Q03181 10/20 0.33
PPARA Q07869 9/20 0.33
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5989157 1.00 AR (0.34) ARSDCBPSDC2PPARGPPARD
SCHEMBL5990712 1.00 AR (0.34) ARSDCBPSDC2PPARGPPARD
SCHEMBL5990855 0.91 CYP4F2 (0.38) PPARGPPARDPPARAHPGDALDH1A1
SCHEMBL5990851 0.91 CYP4F2 (0.38) PPARGPPARDPPARAHPGDALDH1A1
SCHEMBL5990744 0.84 AR (0.38) ARPPARGPPARDPPARAHPGD
SCHEMBL5990749 0.84 AR (0.38) ARPPARGPPARDPPARAHPGD
SCHEMBL5988683 0.82 CYP4F2 (0.40) SDCBPSDC2PPARGPPARDPPARA
SCHEMBL5988687 0.82 CYP4F2 (0.40) SDCBPSDC2PPARGPPARDPPARA
SCHEMBL5991703 0.82 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL5989694 0.82 PPARG (0.46) PPARGPPARDPPARA

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-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed