SCHEMBL27466230

SCHEMBL27466230

O=C(O)C(CC1CCCC1)c1ccc(C[SH](=O)=O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ GCK P35557 6/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ SLC6A3 Q01959 3/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ DPEP1 P16444 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL27482390 0.85 PTGS1 (0.35) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1859326 0.83 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1859328 0.83 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL27465639 0.82 KCNH2 (0.42) GCKKCNH2METAP2METAP1SLC6A3
SCHEMBL27465641 0.82 KCNH2 (0.42) GCKKCNH2METAP2METAP1SLC6A3
SCHEMBL27548017 0.82 APP (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2645824 0.82 SLC6A3 (0.48) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL27548024 0.81 APP (0.40) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL27482764 0.81 CYP1A2 (0.34) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL27482751 0.81 KCNH2 (0.41) GCKKCNH2METAP2METAP1SLC6A3

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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