SCHEMBL5989482

SCHEMBL5989482

COC(=O)CCc1ccc(OCCCOS(C)(=O)=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
PPARD Q03181 5/20 0.41
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PDIA6 Q15084 1/20 0.39
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 2/20 0.37
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL5988709 0.84 KMT2A (0.44) DYRK1APPARDPPARGPPARAKMT2A
SCHEMBL5989420 0.83 PPARG (0.42) PPARDPPARGPPARA
SCHEMBL8799721 0.83 MEN1 (0.43) KMT2AMEN1ALDH1A1PDE3BPDE3A
SCHEMBL8799495 0.83 MEN1 (0.48) PPARDPPARGPPARAKMT2AMEN1
SCHEMBL5989694 0.82 PPARG (0.46) PPARDPPARGPPARA
SCHEMBL5989885 0.82 PPARG (0.46) PPARDPPARGPPARA
SCHEMBL5991703 0.82 PPARG (0.46) PPARDPPARGPPARA
SCHEMBL9119818 0.81 PDE3B (0.43) PPARDPPARGPPARAKMT2AMEN1
SCHEMBL5990406 0.80 PPARG (0.47) PPARDPPARGPPARA
SCHEMBL5990210 0.80 PPARG (0.47) PPARDPPARGPPARA

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