SCHEMBL5989732

SCHEMBL5989732

CC(=O)OCCC(C)Oc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 8/20 0.61
▸ PPARD Q03181 8/20 0.61
▸ PPARA Q07869 8/20 0.61
▸ TSPO P30536 1/20 0.47
▸ FFAR1 O14842 1/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5990128 0.83 PPARG (0.56) PPARGPPARDPPARATSPOFFAR1
SCHEMBL5990286 0.83 PPARG (0.56) PPARGPPARDPPARATSPOFFAR1
SCHEMBL5991196 0.83 PPARG (0.56) PPARGPPARDPPARATSPOFFAR1
SCHEMBL5989704 0.81 PPARG (0.56) PPARGPPARDPPARATSPOFFAR1
SCHEMBL5989711 0.81 PPARG (0.56) PPARGPPARDPPARATSPOFFAR1
SCHEMBL5989877 0.81 PPARG (0.56) PPARGPPARDPPARATSPOFFAR1
SCHEMBL5990052 0.81 PPARG (0.68) PPARGPPARDPPARA
SCHEMBL5990058 0.81 PPARG (0.68) PPARGPPARDPPARA
SCHEMBL5988824 0.80 PPARG (0.67) PPARGPPARDPPARA
SCHEMBL5988827 0.80 PPARG (0.67) 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
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