SCHEMBL19978859

SCHEMBL19978859

CC1=CC(N(O)C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.37
JAK3 P52333 1/20 0.37
NAMPT P43490 1/20 0.37
NR1H2 P55055 1/20 0.37
HPGD P15428 1/20 0.36
ESR2 Q92731 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL19978789 1.00 GPR119 (0.37) GPR119JAK3NAMPTNR1H2HPGD
SCHEMBL22032685 0.79 NR1H2 (0.41) GPR119NAMPTNR1H2ESR2USP2
SCHEMBL22032711 0.73 NAMPT (0.39) GPR119NAMPTNR1H2ESR2USP2
SCHEMBL19978897 0.72 GPR119 (0.36) GPR119JAK3NAMPTNR1H2USP2
SCHEMBL19972951 0.72 NFKB1 (0.37) GPR119JAK3NR1H2NFKB1NFKB2
SCHEMBL19972948 0.72 NFKB1 (0.37) GPR119JAK3NR1H2NFKB1NFKB2
SCHEMBL19972949 0.72 NFKB1 (0.37) GPR119JAK3NR1H2NFKB1NFKB2
SCHEMBL19978889 0.71 NR1H2 (0.37) JAK3NR1H2HPGDKDM4ENFKB1
SCHEMBL19972965 0.71 NR1H2 (0.37) JAK3NR1H2HPGDKDM4ENFKB1
SCHEMBL1257642 0.68 USP2 (0.43) GPR119NAMPTNR1H2ESR2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 EP disclosed
WO-2018053215-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2018-03-22 WO disclosed