SCHEMBL27768127

SCHEMBL27768127

CC(C)OC=O.CS(=O)(=O)c1ccc(OCc2csc(C3CCNCC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.38
ALOX5 P09917 2/20 0.38
EPHA2 P29317 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
AOC3 Q16853 1/20 0.36
FAAH O00519 1/20 0.35
BAZ2A Q9UIF9 1/20 0.34
PTGS2 P35354 1/20 0.33
SLC6A3 Q01959 2/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
HPGDS O60760 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADAM17 P78536 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
Formic Acid Methyl Ester SCHEMBL27768630 0.92 GPR119 (0.41) GPR119ALOX5EPHA2KDREPHB4
SCHEMBL1118179 0.91 GPR119 (0.44) GPR119ALOX5EPHA2KDREPHB4
Hydrochloric Acid SCHEMBL1118214 0.90 GPR119 (0.43) GPR119ALOX5EPHA2KDREPHB4
SCHEMBL27789528 0.89 GPR119 (0.38) GPR119ALOX5EPHA2KDREPHB4
Tert-Butyl Formate SCHEMBL27768398 0.88 GPR119 (0.44) GPR119ALOX5EPHA2KDREPHB4
SCHEMBL27768081 0.86 GPR119 (0.42) GPR119EPHA2KDREPHB4AOC3
Acetic Acid SCHEMBL27973962 0.86 GPR119 (0.45) GPR119ALOX5EPHA2KDREPHB4
SCHEMBL14874882 0.79 GPR119 (0.45) GPR119PTGS2SLC6A3CPT2CPT1A
SCHEMBL27789536 0.79 GPR119 (0.40) GPR119EPHA2KDREPHB4AOC3
SCHEMBL3488433 0.78 AOC3 (0.46) GPR119EPHA2KDREPHB4AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101616586-B Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS INC 2014-08-13 CN claimed
CN-101616586-B Heterocyclic receptor agonists for the treatment of diabetes and metabolic disorders CYMABAY THERAPEUTICS INC 2014-08-13 CN disclosed
CN-102026636-B Oxymethylene aryl compounds and uses thereof METABOLEX INC 2014-07-16 CN disclosed
CN-102026636-A Oxymethylene aryl compounds and uses thereof METABOLEX INC 2011-04-20 CN disclosed
CN-101616586-A The heterocyclic receptor agonists of treatment diabetes and metabolic disorder METABOLEX INC 2009-12-30 CN disclosed