SCHEMBL27548017

SCHEMBL27548017

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ AKR1C3 P42330 14/20 0.39
▸ AKR1C2 P52895 14/20 0.39
▸ AKR1B10 O60218 2/20 0.38
▸ AKR1C4 P17516 2/20 0.38
▸ AKR1C1 Q04828 2/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ POLQ O75417 1/20 0.34
▸ KCNH2 Q12809 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 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
SCHEMBL27548024 0.99 APP (0.40) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL27483468 0.84 KCNH2 (0.35) AKR1C3AKR1C2SLC6A2SLC6A4KCNH2
SCHEMBL27466230 0.82 APP (0.42) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL27482390 0.82 PTGS1 (0.35) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2646133 0.82 AKR1C3 (0.44) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2647603 0.80 APP (0.44) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL27468583 0.79 KCNH2 (0.59) KCNH2
SCHEMBL27482764 0.79 CYP1A2 (0.34) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2646295 0.78 AKR1C3 (0.41) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2646820 0.78 AKR1C3 (0.41) APPPSEN1PSEN2APH1BNCSTN

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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