SCHEMBL20123344

SCHEMBL20123344

CC(N)OC(=O)OC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
PIK3CD O00329 2/20 0.33
ACACB O00763 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
OPRK1 P41145 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL16587944 0.85 KAT2B (0.36) KAT2BBAZ2BPIK3CDACACBL3MBTL1
SCHEMBL13319823 0.82 PIK3CD (0.36) KAT2BBAZ2BPIK3CDACACBL3MBTL1
SCHEMBL6580932 0.82 KAT2B (0.35) KAT2BBAZ2BPIK3CDACACBL3MBTL1
SCHEMBL6578556 0.82 KAT2B (0.35) KAT2BBAZ2BPIK3CDACACBL3MBTL1
SCHEMBL20388745 0.81 EPHX1 (0.42)
SCHEMBL7601636 0.79 PIK3CD (0.35) KAT2BBAZ2BPIK3CDACACBHRH3
SCHEMBL5985348 0.79 PIK3CD (0.35) KAT2BBAZ2BPIK3CDACACBHRH3
SCHEMBL19228020 0.79 PIK3CD (0.35) KAT2BBAZ2BPIK3CDACACBL3MBTL1
SCHEMBL5987438 0.79 PIK3CD (0.35) KAT2BBAZ2BPIK3CDACACBHRH3
SCHEMBL73973 0.79 KAT2B (0.42) KAT2BBAZ2BPIK3CDACACBL3MBTL1

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
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed