SCHEMBL30282902

SCHEMBL30282902

COc1ccc(CO)c(F)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
MCL1 Q07820 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL25153701 1.00 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DLPL
SCHEMBL29746710 0.82 LPL (0.37) LPLLIPGROCK1
SCHEMBL19950155 0.82 LPL (0.37) LPLLIPGROCK1
SCHEMBL29012935 0.80 LPL (0.38) LPLLIPG
SCHEMBL26058390 0.80 LPL (0.38) LPLLIPG
SCHEMBL21272121 0.79 EGFR (0.38) LPLLIPGMCL1
SCHEMBL2296861 0.75 LPL (0.39) LPLLIPGROCK1
SCHEMBL21296190 0.74 ALDH1A1 (0.40) LPLLIPG
SCHEMBL18579517 0.74 CSF1R (0.43) PDE4APDE4BPDE4CPDE4DLPL
SCHEMBL12006791 0.74 CSF1R (0.43) PDE4APDE4BPDE4CPDE4DLPL

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
WO-2023061415-A1 THIADIAZOLYL DERIVATIVES, COMPOSITIONS AND USES THEREOF DANATLAS PHARMACEUTICALS CO., LTD. (CN) 2023-04-20 WO disclosed