SCHEMBL2027004

SCHEMBL2027004

[2H]C1([2H])Oc2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ P2RX7 Q99572 1/20 0.32
▸ MAPK1 P28482 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ BTK Q06187 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
SCHEMBL16043929 0.88 LPL (0.35) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL15335320 0.88 LPL (0.35) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL30486658 0.88 LPL (0.35) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL1646761 0.80 LPL (0.44) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL16042213 0.78 LPL (0.35) LPLLIPGJAK2BTK
SCHEMBL4471407 0.78 LPL (0.42) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL15056617 0.76 MAPK1 (0.34) LPLLIPGP2RX7MAPK1
SCHEMBL25395984 0.76 LPL (0.41) LPLLIPGP2RX7MAPK1JAK2
SCHEMBL17423953 0.74 JAK2 (0.36) LPLLIPGJAK2BTK
SCHEMBL10159440 0.74 P2RX7 (0.34) LPLLIPGP2RX7MAPK1

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-2011076687-A1 PYRIDINONE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-30 — — WO disclosed
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