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Bicarbonate

Bicarbonate

SCHEMBL6054963

Cc1cc(OCCC(C)Oc2ccc(C(C)C)cc2C(=O)c2ccccc2)ccc1CCC(=O)O.Cc1cc(OCCC(C)Oc2ccc(C(C)C)cc2C(=O)c2ccccc2)ccc1CCC(=O)O.O=C([O-])[O-].[Cs+].[Cs+]

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 20/20 0.78
▸ PPARD Q03181 20/20 0.78
▸ PPARA Q07869 17/20 0.78

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
Bicarbonate SCHEMBL6054964 1.00 PPARG (0.78) PPARGPPARDPPARA
SCHEMBL5407962 0.97 PPARG (0.82) PPARGPPARDPPARA
SCHEMBL5990882 0.89 PPARG (0.71) PPARGPPARDPPARA
SCHEMBL5989464 0.88 PPARG (0.82) PPARGPPARDPPARA
SCHEMBL5394641 0.88 PPARG (0.82) PPARGPPARDPPARA
Bicarbonate SCHEMBL6054910 0.88 PPARG (0.72) PPARGPPARDPPARA
Bicarbonate SCHEMBL6054906 0.88 PPARG (0.72) PPARGPPARDPPARA
SCHEMBL5989286 0.87 PPARG (1.00) PPARGPPARDPPARA
SCHEMBL5992166 0.87 PPARG (0.81) PPARGPPARDPPARA
SCHEMBL5402240 0.87 PPARG (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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