SCHEMBL5990027

SCHEMBL5990027

CCOC(=O)C(C)(C)Oc1ccc(OCCC(C)Oc2cc3ccccc3cc2C(=O)c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 17/20 0.65
▸ PPARA Q07869 13/20 0.65
▸ PPARD Q03181 11/20 0.65
▸ ABCB11 O95342 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 1/20 0.38

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
SCHEMBL5989690 0.90 PPARG (0.76) PPARGPPARAPPARD
SCHEMBL5988805 0.89 PPARG (0.67) PPARGPPARAPPARDABCB11CYP1A2
SCHEMBL5989481 0.88 PPARG (0.69) PPARGPPARAPPARDABCB11CYP1A2
SCHEMBL5990132 0.86 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL5991338 0.85 PPARG (0.57) PPARGPPARAPPARDABCB11CYP1A2
SCHEMBL5990218 0.82 PPARG (0.73) PPARGPPARAPPARDTSHRMAPK1
SCHEMBL5989893 0.81 PPARG (0.72) PPARGPPARAPPARD
SCHEMBL5402182 0.79 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL5989776 0.78 PPARG (0.48) PPARGPPARAPPARDTSHRMAPK1
SCHEMBL5990393 0.78 PPARG (0.78) PPARGPPARAPPARD

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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