SCHEMBL23939747

SCHEMBL23939747

COc1cccc2c1B(O)O[C@@H]2CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 1/20 0.40
DRD2 P14416 5/20 0.40
EPHX2 P34913 1/20 0.39
LARS1 Q9P2J5 2/20 0.37
APLNR P35414 1/20 0.37
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
BRD4 O60885 1/20 0.35
KDM4A O75164 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL23939723 0.90 RPS6KA1 (0.40) RPS6KA1DRD2EPHX2KDM4A
SCHEMBL19672999 0.90 RPS6KA1 (0.40) RPS6KA1DRD2EPHX2KDM4A
SCHEMBL13035547 0.89 RPS6KA1 (0.38) RPS6KA1DRD2EPHX2APLNRBRD4
SCHEMBL13035591 0.89 RPS6KA1 (0.39) RPS6KA1DRD2EPHX2KDM4A
SCHEMBL13035561 0.89 RPS6KA1 (0.39) RPS6KA1DRD2EPHX2KDM4A
SCHEMBL469558 0.89 LARS1 (0.39) RPS6KA1EPHX2LARS1KDM4AHSD17B10
SCHEMBL469384 0.89 LARS1 (0.39) RPS6KA1EPHX2LARS1KDM4AHSD17B10
SCHEMBL19647574 0.88 RPS6KA1 (0.39) RPS6KA1DRD2EPHX2APLNRKDM4A
SCHEMBL15077473 0.87 RPS6KA1 (0.38) RPS6KA1DRD2EPHX2KDM4A
SCHEMBL3446339 0.86 EPHX2 (0.38) RPS6KA1EPHX2

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