SCHEMBL8476399

SCHEMBL8476399

CCC(=O)C(=O)Oc1cc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
CHEK2 O96017 2/20 0.44
GPR119 Q8TDV5 4/20 0.44
USP30 Q70CQ3 1/20 0.42
PDE4B Q07343 3/20 0.41
PDE4A P27815 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL7389499 0.84 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL8470092 0.83 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL7389934 0.82 GPR119 (0.48) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL22322044 0.81 GPR119 (0.57) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL32669085 0.79 GPR119 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL23086729 0.77 GPR119 (0.54) CHEK2GPR119PDE4BPDE4APDE4C
SCHEMBL1894331 0.77 USP30 (0.50) PIK3CDPIK3CAPIK3CBPIK3CGGPR119
SCHEMBL6190259 0.77 GPR119 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL7389137 0.77 GPR119 (0.55) PIK3CDPIK3CAPIK3CBPIK3CGCHEK2
SCHEMBL1134253 0.76 GPR119 (0.55) CHEK2GPR119PDE4BPDE4APDE4C

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-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed