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SCHEMBL6405855

SCHEMBL6405855

CCCc1c(OCCCN2C(=O)CC(C)(c3ccccc3)C2=O)ccc2c(C(F)(F)F)onc12

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 15/20 0.48
▸ NR1H3 Q13133 8/20 0.47
▸ PPARG P37231 5/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 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
SCHEMBL6405198 0.88 NR1H2 (0.51) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL6099041 0.86 NR1H2 (0.65) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL6405303 0.85 NR1H2 (0.65) NR1H2NR1H3
SCHEMBL6405323 0.83 NR1H2 (0.55) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL6405584 0.81 NR1H2 (0.54) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL6406343 0.81 NR1H2 (0.54) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL6405163 0.81 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL6405155 0.80 NR1H2 (0.52) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL6406547 0.79 NR1H2 (0.59) NR1H2NR1H3PPARA
SCHEMBL6405354 0.79 NR1H2 (0.72) NR1H2NR1H3PPARGPPARDPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534696-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS Merck & Co., Inc. (US) 2005-06-01 — — EP disclosed
WO-2004011448-A1 THERAPEUTIC COMPOUNDS FOR TREATING DYSLIPIDEMIC CONDITIONS MERCK & CO., INC. (US) 2004-02-05 — — WO disclosed