SCHEMBL24167809

SCHEMBL24167809

CC1(C)OCC(COc2ccc(F)c(CO)c2)O1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.49
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL22269153 0.89 MAPK14 (0.43) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL22269149 0.89 MAPK14 (0.43) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL13463048 0.82 MAPK14 (0.52) MAPK14CA2
SCHEMBL16447323 0.81 MAPK14 (0.50) MAPK14CCNKCDK12CA2
SCHEMBL15077466 0.81 MAPK14 (0.50) MAPK14CCNKCDK12CA2
SCHEMBL22705180 0.80 CA2 (0.42) MAPK14KCNJ5KCNJ3CCNKCDK12
SCHEMBL16447426 0.80 MAPK14 (0.46) MAPK14CA2
SCHEMBL15078725 0.80 MAPK14 (0.46) MAPK14CCNKCDK12
SCHEMBL15077467 0.80 MAPK14 (0.46) MAPK14CA2
SCHEMBL1586695 0.80 MAPK14 (0.43) MAPK14KCNJ5KCNJ3CCNKCDK12

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-3030519-B1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-01-05 EP disclosed