SCHEMBL28201329

SCHEMBL28201329

O=C(O)C(CO)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
TBXAS1 P24557 2/20 0.37
FPR2 P25090 5/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
CSNK1A1 P48729 1/20 0.36
TYRO3 Q06418 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
F2RL1 P55085 3/20 0.35

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
SCHEMBL4060533 0.84 TBXAS1 (0.39) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL9315687 0.82 CPB2 (0.42) KDM4EALDH1A1ADRA2AADRA2BADRA2C
Bromide SCHEMBL28351579 0.82 FPR2 (0.43) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL31547895 0.81 TBXAS1 (0.44) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL18112879 0.81 FPR2 (0.46) KDM4EADRA2AADRA2BADRA2CFPR2
Hydrochloric Acid SCHEMBL28364020 0.80 TBXAS1 (0.45) KDM4EALDH1A1ADRA2AADRA2BADRA2C
Bromide SCHEMBL28435732 0.80 ADRA2A (0.41) KDM4EALDH1A1ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL28363999 0.80 ADRA2A (0.41) KDM4EALDH1A1ADRA2AADRA2BADRA2C
Bromide SCHEMBL28360500 0.80 TBXAS1 (0.43) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL9052552 0.76 TAAR1 (0.41) ADRA2AADRA2BADRA2CCSNK1A1TYRO3

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-107636009-A Hyperglycemic factor derivative with improved stability 韩美药品株式会社 2018-01-26 CN claimed
CN-107636009-A Hyperglycemic factor derivative with improved stability 韩美药品株式会社 2018-01-26 CN disclosed