SCHEMBL26536604

SCHEMBL26536604

COc1cn(C(=O)OC(C)(C)C)cn1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
FAAH O00519 1/20 0.33
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
BACE1 P56817 1/20 0.32
MAP4K4 O95819 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
SCHEMBL9068832 0.84 GPR119 (0.35) GPR119MEN1KMT2ABCHEPOLB
SCHEMBL14860682 0.81 GPR119 (0.38) GPR119MEN1KMT2ABCHEPOLB
SCHEMBL5172212 0.79 GPR119 (0.38) GPR119MEN1KMT2ABCHEPOLB
SCHEMBL1097122 0.78 GPR119 (0.38) GPR119MEN1KMT2ABCHEPOLB
SCHEMBL6172899 0.78 GPR119 (0.38) GPR119MEN1KMT2ABCHEPOLB
SCHEMBL23376785 0.78 GPR119 (0.38) GPR119MEN1KMT2ABCHEPOLB
SCHEMBL24915163 0.78 GPR119 (0.38) GPR119MEN1KMT2ABCHEPOLB
SCHEMBL30437740 0.78 MEN1 (0.42) GPR119MEN1KMT2AALDH1A1
SCHEMBL5849847 0.77 GPR119 (0.37) GPR119MEN1KMT2ABCHEPOLB
SCHEMBL2471937 0.77 GPR119 (0.37) GPR119MEN1KMT2ABCHEPOLB

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
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed