SCHEMBL2656053

SCHEMBL2656053

CCCOC(=O)NNC(=O)OCCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.48
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
EPHX1 P07099 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
ESR1 P03372 1/20 0.43
CHRM1 P11229 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
KDR P35968 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL11655101 0.93 ACHE (0.43) ACHEKDM4EGLAEPHX1ALDH1A1
SCHEMBL27972879 0.93 ACHE (0.43) ACHEKDM4EGLAEPHX1ALDH1A1
SCHEMBL11031342 0.87
SCHEMBL2819850 0.85 ACHE (0.47) ACHEKDM4EGLAEPHX1ALDH1A1
SCHEMBL16824229 0.84 EPHX1 (0.59) ACHEEPHX1ALDH1A1SMN1; SMN2TSHR
SCHEMBL2912153 0.83 ACHE (0.48) ACHEKDM4EGLAEPHX1ALDH1A1
SCHEMBL28700176 0.82 KDM4E (0.40) ACHEKDM4EGLAEPHX1ALDH1A1
SCHEMBL851200 0.81
SCHEMBL42937 0.81
SCHEMBL27922365 0.81

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
EP-1697324-A1 BENZOYL AMINO PYRIDYL CARBOXYLIC ACID DERIVATIVES USEFUL AS GLUCOKINASE (GLK) ACTIVATORS AstraZeneca AB (SE) 2006-09-06 EP disclosed
WO-2005054200-A1 BENZOYL AMINO PYRIDYL CARBOXYLIC ACID DERIVATIVES USEFUL AS GLUCOKINASE (GLK) ACTIVATORS ASTRAZENECA AB (SE) 2005-06-16 WO disclosed