SCHEMBL27466729

SCHEMBL27466729

CCC(=O)OCC(c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.35
▸ CNR2 P34972 6/20 0.33
▸ CNR1 P21554 4/20 0.33
▸ SLC6A3 Q01959 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ EPHX1 P07099 2/20 0.31

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
SCHEMBL27466728 0.81 SLC6A3 (0.33) SLC6A3EPHX2EPHX1
SCHEMBL27483477 0.79 KDM4E (0.41) SLC6A3EPHX2EPHX1
SCHEMBL2646128 0.75 KCNH2 (0.48) ABCB11CNR2CNR1KCNH2
SCHEMBL27483137 0.74 KMT2A (0.38) SLC6A3KCNH2EPHX1
SCHEMBL2646652 0.74 KCNH2 (0.47) ABCB11CNR2CNR1SLC6A3KCNH2
SCHEMBL2646633 0.74 KCNH2 (0.45) ABCB11CNR2CNR1ALOX5APFEN1
SCHEMBL27467638 0.73 SLC6A3 (0.48) SLC6A3
SCHEMBL27482765 0.72 MEN1 (0.50) SLC6A3KCNH2
SCHEMBL27465658 0.71 SLC6A3 (0.52) SLC6A3EPHX2
SCHEMBL2645963 0.71 KCNH2 (0.48) ABCB11KCNH2

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
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
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