SCHEMBL30213329

SCHEMBL30213329

CCOC(=O)c1ccc(OCC2CCN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FDFT1 P37268 1/20 0.41

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
SCHEMBL28524412 0.94 MEN1 (0.49) GPR119MEN1KMT2AKCNH2HRH3
SCHEMBL2429206 0.94 MEN1 (0.49) GPR119MEN1KMT2AKCNH2HRH3
SCHEMBL7387197 0.83 CHEK2 (0.46) GPR119MEN1KMT2ANPSR1
SCHEMBL5151622 0.82 NPC1 (0.47) GPR119MAPT
SCHEMBL14500062 0.82 KMT2A (0.39) GPR119MEN1KMT2AKCNH2HRH3
SCHEMBL13437495 0.82 TDP1 (0.41) GPR119MEN1KMT2AKCNH2HRH3
SCHEMBL7398730 0.82 CHEK2 (0.57) GPR119MEN1KMT2AKCNH2HRH3
SCHEMBL30213365 0.82 MEN1 (0.45) GPR119MEN1KMT2AMAPTNPSR1
SCHEMBL14592667 0.81 GPR119 (0.52) GPR119MAPTNPSR1ATM
SCHEMBL7366249 0.80 CHEK2 (0.58) GPR119MAPTNPSR1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768768-A Galectin-3 inhibitors 百时美施贵宝公司 2023-03-07 CN disclosed