SCHEMBL5990855

SCHEMBL5990855

CCOC(=O)CCc1ccc(SCCC(C)OS(C)(=O)=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PPARG P37231 9/20 0.33
PPARD Q03181 9/20 0.33
PPARA Q07869 7/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5990851 1.00 CYP4F2 (0.38) CYP4F2CYP4A11PPARGPPARDPPARA
SCHEMBL5988687 0.92 CYP4F2 (0.40) CYP4F2CYP4A11PPARGPPARDPPARA
SCHEMBL5988683 0.92 CYP4F2 (0.40) CYP4F2CYP4A11PPARGPPARDPPARA
SCHEMBL5989157 0.91 AR (0.34) PPARGPPARDPPARAMAPTALDH1A1
SCHEMBL5989151 0.91 AR (0.34) PPARGPPARDPPARAMAPTALDH1A1
SCHEMBL5990712 0.91 AR (0.34) PPARGPPARDPPARAMAPTALDH1A1
SCHEMBL5992812 0.82 ESR1 (0.43) PPARDPPARAKMT2AALDH1A1GAA
SCHEMBL5991573 0.82 ESR1 (0.43) PPARDPPARAKMT2AALDH1A1GAA
SCHEMBL5989258 0.76 PPARG (0.46) CYP4F2CYP4A11PPARGPPARDPPARA
SCHEMBL5989678 0.76 PPARG (0.46) CYP4F2CYP4A11PPARGPPARDPPARA

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