SCHEMBL5990744

SCHEMBL5990744

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
HPGD P15428 3/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
PDE4D Q08499 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL5990749 1.00 AR (0.38) ARHPGDMAOAMAOBPDE4D
SCHEMBL5990712 0.84 AR (0.34) ARHPGDMAOAMAOBMAPT
SCHEMBL5989157 0.84 AR (0.34) ARHPGDMAOAMAOBMAPT
SCHEMBL5989151 0.84 AR (0.34) ARHPGDMAOAMAOBMAPT
SCHEMBL5991776 0.80 CYP4F2 (0.45) HPGDMAPTKDM4ECYP1A2GLA
SCHEMBL5991773 0.80 CYP4F2 (0.45) HPGDMAPTKDM4ECYP1A2GLA
SCHEMBL5989735 0.79 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL5989730 0.79 PPARG (0.46) PPARGPPARDPPARA
SCHEMBL5990359 0.78 PPARG (0.43) PPARGPPARDPPARA
SCHEMBL5988754 0.75 PPARG (0.52) 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