SCHEMBL27467646

SCHEMBL27467646

CS(=O)(=O)c1ccc([C@H](CC(=O)O)C2CCCC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.46
▸ FFAR1 O14842 3/20 0.45
▸ GCK P35557 4/20 0.44
▸ SLC6A3 Q01959 3/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ PTGDR Q13258 6/20 0.41
▸ TBXA2R P21731 3/20 0.41
▸ PTGS2 P35354 1/20 0.39
▸ PDE2A O00408 2/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38

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
SCHEMBL27502236 1.00 KCNH2 (0.46) KCNH2FFAR1GCKSLC6A3SLC6A2
SCHEMBL27558086 0.90 GCK (0.44) KCNH2FFAR1GCKSLC6A3SLC6A2
SCHEMBL27616381 0.89 KCNH2 (0.45) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27765336 0.87 GCK (0.42) KCNH2FFAR1GCKSLC6A3SLC6A2
SCHEMBL27558109 0.85 GCK (0.47) KCNH2FFAR1GCKSLC6A3SLC6A2
SCHEMBL27578470 0.85 GCK (0.47) KCNH2FFAR1GCKSLC6A3SLC6A2
SCHEMBL27575894 0.84 ALDH1A1 (0.43) KCNH2GCKPTGDRTBXA2RPDE2A
SCHEMBL28749510 0.83 FFAR1 (0.39) KCNH2FFAR1GCKSLC6A3SLC6A2
SCHEMBL27635484 0.81 SLC6A3 (0.44) KCNH2GCKSLC6A3SLC6A2SLC6A4
SCHEMBL27765343 0.77 GCK (0.42) KCNH2GCKSLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101641447-A Microbial reduction of acetoxy ketones HOFFMANN LA ROCHE CH 2010-02-03 — — CN disclosed
CN-101541756-A Pyrazoles as glucokinase activators HOFFMANN LA ROCHE (CH) 2009-09-23 — — CN disclosed
CN-100469770-C 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2009-03-18 — — CN disclosed
CN-1726197-A 5-substituted-pyrazine or -pyridine glucokinase activators HOFFMANN LA ROCHE (CH) 2006-01-25 — — CN disclosed
CN-1226294-C Fused heteroaromatic glucokinase activators HOFFMANN LA ROCHE (CH) 2005-11-09 — — CN disclosed
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1476438-A Fused heteroaromatic glucokinase activators - 2004-02-18 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
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