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SCHEMBL6571455

SCHEMBL6571455

CC(O)(C(=O)Nc1ccc(S(=O)(=O)c2ccc(NCCOCCO)cc2)cc1Cl)C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.82
▸ PDK1 Q15118 17/20 0.60
▸ PDK2 Q15119 17/20 0.60
▸ PDK3 Q15120 17/20 0.60
▸ PDK4 Q16654 17/20 0.60
▸ ABCC9 O60706 1/20 0.52
▸ ABCC8 Q09428 1/20 0.52
▸ KCNJ11 Q14654 1/20 0.52
▸ KCNJ8 Q15842 1/20 0.52
▸ PTGES2 Q9H7Z7 1/20 0.52

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
SCHEMBL6571448 1.00 ABCB11 (0.82) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6568889 0.90 ABCB11 (1.00) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6568896 0.90 ABCB11 (1.00) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6568192 0.90 ABCB11 (0.80) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6568188 0.90 ABCB11 (0.80) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6568338 0.89 ABCB11 (0.89) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6568343 0.89 ABCB11 (0.89) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6569643 0.88 ABCB11 (0.87) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL6569638 0.88 ABCB11 (0.87) ABCB11PDK1PDK2PDK3PDK4
SCHEMBL5738899 0.86 PDK1 (0.78) ABCB11PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 — — EP disclosed