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SCHEMBL17690271

SCHEMBL17690271

CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ NR1H2 P55055 14/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NR1H3 Q13133 3/20 0.37
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36

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
SCHEMBL593975 0.86 NR1H2 (0.44) NR1H2CA12CA9NR1H3GABRG2
SCHEMBL29957250 0.86 NR1H2 (0.44) NR1H2CA12CA9NR1H3GABRG2
SCHEMBL7921587 0.85 CCNB2 (0.41) NR1H2CA12CA9NR1H3GABRG2
SCHEMBL29643728 0.85 NR1H2 (0.45) NR1H2CA12CA9NR1H3GABRG2
SCHEMBL2930214 0.85 NR1H2 (0.39) NR1H2CA12CA9NR1H3GABRG2
SCHEMBL31140070 0.85 CCNB2 (0.41) NR1H2CA12CA9NR1H3GABRG2
SCHEMBL10187341 0.85 NR1H2 (0.41) NR1H2CA12CA9NR1H3GABRG2
SCHEMBL594560 0.85 NR1H2 (0.45) NR1H2CA12CA9NR1H3GABRG2
SCHEMBL29955454 0.85 NR1H2 (0.39) NR1H2CA12CA9NR1H3GABRG2
SCHEMBL29955030 0.84 NR1H2 (0.46) NR1H2CA12CA9

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-3009436-A1 KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2016-04-20 — — EP disclosed