SCHEMBL5991304

SCHEMBL5991304

C[C@H](O)CCOc1ccc(C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.53
▸ PPARD Q03181 3/20 0.53
▸ PPARA Q07869 3/20 0.53
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KCNQ3 O43525 3/20 0.41
▸ KCNQ2 O43526 3/20 0.41
▸ PTGDR2 Q9Y5Y4 2/20 0.41
▸ FFAR1 O14842 3/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL5991311 1.00 PPARG (0.53) PPARGPPARDPPARAL3MBTL1KDM4E
SCHEMBL5990526 0.82 PPARG (0.53) PPARGPPARDPPARAL3MBTL1MAPT
SCHEMBL5992130 0.82 PPARG (0.53) PPARGPPARDPPARAL3MBTL1MAPT
SCHEMBL5989753 0.82 PPARG (0.53) PPARGPPARDPPARAL3MBTL1MAPT
SCHEMBL5990391 0.81 PPARG (0.51) PPARGPPARDPPARAL3MBTL1MAPT
SCHEMBL5990819 0.81 PPARG (0.51) PPARGPPARDPPARAL3MBTL1MAPT
SCHEMBL5990397 0.81 PPARG (0.51) PPARGPPARDPPARAL3MBTL1MAPT
SCHEMBL5990518 0.78 PPARG (0.58) PPARGPPARDPPARAL3MBTL1MAPT
SCHEMBL5990524 0.78 PPARG (0.58) PPARGPPARDPPARAL3MBTL1MAPT
SCHEMBL8811646 0.77 KDM4E (0.60) PPARGPPARAL3MBTL1KDM4EALDH1A1

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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