SCHEMBL22339446

SCHEMBL22339446

CC1(C)OB(c2ccc(=O)n(I)c2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.43
LIPG Q9Y5X9 12/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ESR2 Q92731 1/20 0.37
F11 P03951 2/20 0.36
P4HB P07237 1/20 0.35
FFAR1 O14842 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35

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
SCHEMBL506071 0.81 LPL (0.44) LPLLIPGCA1CA2CA9
SCHEMBL29849103 0.77 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL505914 0.77 LPL (0.41) LPLLIPGCA1CA2CA9
SCHEMBL506778 0.77 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL12492834 0.76 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL25377205 0.74 LIPG (0.50) LPLLIPGCA1CA2CA9
SCHEMBL16465393 0.74 LIPG (0.47) LPLLIPGCA1CA2CA9
SCHEMBL16465375 0.74 LPL (0.39) LPLLIPGCA1CA2CA9
SCHEMBL22339403 0.73 LPL (0.34) LPLLIPGCA1CA2CA9
SCHEMBL22655335 0.73 LIPG (0.43) LPLLIPGCA1CA2CA9

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-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed