SCHEMBL5197658

SCHEMBL5197658

CC(CC1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1)S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.40
CA2 P00918 12/20 0.40
CA9 Q16790 12/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
BACE1 P56817 4/20 0.34
ROCK1 Q13464 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
F11 P03951 1/20 0.32
AAK1 Q2M2I8 1/20 0.32

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
SCHEMBL16595233 0.76 LIPG (0.40) CA1CA2CA9ROCK1LPL
SCHEMBL5306031 0.75 PNMT (0.41) CA1CA2CA9CA12CA7
SCHEMBL2925545 0.75 PNMT (0.41) CA1CA2CA9CA12CA7
SCHEMBL959820 0.74 GRIA2 (0.51)
SCHEMBL1591339 0.74 GRIA2 (0.51)
SCHEMBL11898497 0.74 GRIA2 (0.51)
SCHEMBL5272399 0.73 CA1 (0.44) CA1CA2CA9CA12CA3
SCHEMBL5272406 0.73 CA1 (0.44) CA1CA2CA9CA12CA3
SCHEMBL27857521 0.73 TBXA2R (0.36) CA1CA2CA9CA12CA7
SCHEMBL15096664 0.72 LIPG (0.42) CA1CA2CA9CA12CA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786766-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006015829-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-02-16 WO disclosed