SCHEMBL19732990

SCHEMBL19732990

C=CCON(C(=O)OC(C)(C)C)[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](CO)C=C1COC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SRC P12931 4/20 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
SCHEMBL18745268 1.00 F13A1 (0.32) F13A1TGM2TGM1L3MBTL1SRC
SCHEMBL15318856 1.00 F13A1 (0.32) F13A1TGM2TGM1L3MBTL1SRC
SCHEMBL15318858 1.00 F13A1 (0.32) F13A1TGM2TGM1L3MBTL1SRC
SCHEMBL16558938 0.93 L3MBTL1 (0.32) F13A1TGM2TGM1L3MBTL1
SCHEMBL15319742 0.88
SCHEMBL15319740 0.88
SCHEMBL19732977 0.88
SCHEMBL19732976 0.88
SCHEMBL15320958 0.87 L3MBTL1 (0.33) F13A1TGM2TGM1L3MBTL1
SCHEMBL15319764 0.86 L3MBTL1 (0.33) L3MBTL1

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-2834239-B1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ENTASIS THERAPEUTICS LTD (GB) 2017-12-27 EP disclosed