SCHEMBL21093667

SCHEMBL21093667

CCCc1ccc(B2CC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.58
LIPG Q9Y5X9 7/20 0.58
CA2 P00918 2/20 0.35
F11 P03951 2/20 0.32
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NISCH Q9Y2I1 1/20 0.30
HTR1D P28221 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
SCHEMBL23635245 0.83 LPL (0.38) LPLLIPGF11
SCHEMBL23714871 0.79 LIPG (0.60) LPLLIPGCA2F11CA1
SCHEMBL20108584 0.77 MAPK1 (0.42) LPLLIPGCA2CA1CA9
SCHEMBL21154235 0.76 LPL (0.49) LPLLIPG
SCHEMBL12031006 0.76 LPL (0.31) LPLLIPG
SCHEMBL21364239 0.75 LPL (0.40) LPLLIPG
SCHEMBL12215734 0.74 LIPG (1.00) LPLLIPGCA2F11CA1
SCHEMBL25984957 0.74 SLC5A2 (0.33) LPLLIPG
SCHEMBL20108598 0.74 MAPT (0.47) LPLLIPG
SCHEMBL24092846 0.73 ALDH1A1 (0.35) CA2CA1CA9ALDH1A1

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-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 EP disclosed