SCHEMBL5989753

SCHEMBL5989753

CC(CCOc1ccc(C(F)(F)F)cc1Oc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.53
▸ PPARD Q03181 7/20 0.53
▸ PPARA Q07869 7/20 0.53
▸ KCNQ3 O43525 3/20 0.43
▸ KCNQ2 O43526 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ AR P10275 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ IDH2 P48735 1/20 0.37
▸ FFAR1 O14842 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
SCHEMBL5992130 1.00 PPARG (0.53) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5990526 1.00 PPARG (0.53) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5991150 0.83 PPARG (0.51) PPARGPPARDPPARAL3MBTL1HTT
SCHEMBL5989975 0.83 PPARG (0.51) PPARGPPARDPPARAL3MBTL1HTT
SCHEMBL5989981 0.83 PPARG (0.51) PPARGPPARDPPARAL3MBTL1HTT
SCHEMBL5989417 0.83 PPARG (0.58) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5989413 0.83 PPARG (0.58) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5991304 0.82 PPARG (0.53) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5991311 0.82 PPARG (0.53) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5989606 0.79 KCNQ3 (0.44) PPARGPPARDPPARAKCNQ3KCNQ2

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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