SCHEMBL23939723

SCHEMBL23939723

CC(C)(C)OC(=O)NC[C@H]1OB(O)c2c(OI)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 1/20 0.40
EPHX2 P34913 1/20 0.39
KDM4A O75164 1/20 0.34
DRD2 P14416 3/20 0.33
PCSK9 Q8NBP7 1/20 0.33
ACACB O00763 3/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
AKT1 P31749 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ACACA Q13085 1/20 0.32
PARP1 P09874 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
SCHEMBL19672999 1.00 RPS6KA1 (0.40) RPS6KA1EPHX2KDM4ADRD2PCSK9
SCHEMBL23939747 0.90 RPS6KA1 (0.40) RPS6KA1EPHX2KDM4ADRD2
SCHEMBL13035561 0.88 RPS6KA1 (0.39) RPS6KA1EPHX2KDM4ADRD2PCSK9
SCHEMBL469384 0.88 LARS1 (0.39) RPS6KA1EPHX2KDM4AACACBGAA
SCHEMBL469558 0.88 LARS1 (0.39) RPS6KA1EPHX2KDM4AACACBGAA
SCHEMBL13035591 0.88 RPS6KA1 (0.39) RPS6KA1EPHX2KDM4ADRD2PCSK9
SCHEMBL19647574 0.87 RPS6KA1 (0.39) RPS6KA1EPHX2KDM4ADRD2PCSK9
SCHEMBL15077473 0.86 RPS6KA1 (0.38) RPS6KA1EPHX2KDM4ADRD2PCSK9
SCHEMBL13035547 0.86 RPS6KA1 (0.38) RPS6KA1EPHX2KDM4ADRD2PCSK9
SCHEMBL13035541 0.85 RPS6KA1 (0.38) RPS6KA1EPHX2KDM4ADRD2PCSK9

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-3251678-B1 BENZOXABOROLE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ANACOR PHARMACEUTICALS INC (US) 2021-10-20 EP disclosed