SCHEMBL5989110

SCHEMBL5989110

CC(C)c1ccc(O[C@H](C)CCOS(C)(=O)=O)c(Oc2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.42
▸ PPARD Q03181 7/20 0.42
▸ PPARA Q07869 7/20 0.42
▸ CASP1 P29466 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ PTGS2 P35354 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
SCHEMBL5989115 1.00 PPARG (0.42) PPARGPPARDPPARACASP1SMN1; SMN2
SCHEMBL5989711 0.86 PPARG (0.56) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL5989704 0.86 PPARG (0.56) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL5989877 0.86 PPARG (0.56) PPARGPPARDPPARASMN1; SMN2ALDH1A1
SCHEMBL5990165 0.85 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5990335 0.85 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5990163 0.85 PPARG (0.56) PPARGPPARDPPARA
SCHEMBL5989417 0.83 PPARG (0.58) PPARGPPARDPPARAPGR
SCHEMBL5989413 0.83 PPARG (0.58) PPARGPPARDPPARAPGR
SCHEMBL5990271 0.80 PPARG (0.41) 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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