SCHEMBL5990990

SCHEMBL5990990

CC(CCOS(C)(=O)=O)Oc1cc2ccccc2cc1C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 5/20 0.46
▸ PPARD Q03181 5/20 0.46
▸ PPARA Q07869 4/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ DHODH Q02127 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNB3 Q8WWL7 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
SCHEMBL5989776 0.85 PPARG (0.48) PPARGPPARDPPARAIRAK4DHODH
SCHEMBL5991764 0.84 IRAK4 (0.49) PPARGPPARDPPARAIRAK4DHODH
SCHEMBL5989827 0.84 PPARG (0.63) PPARGPPARDPPARACCNB2CCNE2
SCHEMBL5989831 0.84 PPARG (0.63) PPARGPPARDPPARACCNB2CCNE2
SCHEMBL5992887 0.84 PPARG (0.63) PPARGPPARDPPARACCNB2CCNE2
SCHEMBL5990588 0.82 PPARG (0.54) PPARGPPARDPPARAMAPTTSHR
SCHEMBL5989690 0.77 PPARG (0.76) PPARGPPARDPPARA
SCHEMBL5991821 0.74 PPARG (0.78) PPARGPPARDPPARA
SCHEMBL5990985 0.74 PPARG (0.78) PPARGPPARDPPARA
SCHEMBL5990027 0.73 PPARG (0.65) PPARGPPARDPPARALMNAHPGD

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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