SCHEMBL5989413

SCHEMBL5989413

C[C@@H](CCOS(C)(=O)=O)Oc1ccc(C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 9/20 0.58
▸ PPARD Q03181 9/20 0.58
▸ PPARA Q07869 9/20 0.58
▸ KCNQ3 O43525 3/20 0.43
▸ KCNQ2 O43526 3/20 0.43
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ AR P10275 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ FFAR1 O14842 2/20 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

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
SCHEMBL5989417 1.00 PPARG (0.58) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5989877 0.83 PPARG (0.56) PPARGPPARDPPARAFFAR1
SCHEMBL5989115 0.83 PPARG (0.42) PPARGPPARDPPARAPGR
SCHEMBL5989711 0.83 PPARG (0.56) PPARGPPARDPPARAFFAR1
SCHEMBL5989704 0.83 PPARG (0.56) PPARGPPARDPPARAFFAR1
SCHEMBL5989110 0.83 PPARG (0.42) PPARGPPARDPPARAPGR
SCHEMBL5989753 0.83 PPARG (0.53) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5992130 0.83 PPARG (0.53) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5990526 0.83 PPARG (0.53) PPARGPPARDPPARAKCNQ3KCNQ2
SCHEMBL5990335 0.82 PPARG (0.56) 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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