SCHEMBL2027698

SCHEMBL2027698

CC(F)(F)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.38
LIPG Q9Y5X9 7/20 0.38
JAK2 O60674 3/20 0.35
BTK Q06187 3/20 0.35
LIPE Q05469 6/20 0.32
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL31440036 0.88 LPL (0.39) LPLLIPGJAK2BTKLIPE
SCHEMBL4879042 0.88 LPL (0.39) LPLLIPGJAK2BTKLIPE
SCHEMBL17334100 0.84 LPL (0.42) LPLLIPGJAK2BTKLIPE
SCHEMBL24630498 0.84 LPL (0.46) LPLLIPGJAK2BTK
SCHEMBL2301628 0.79 JAK2 (0.43) LPLLIPGJAK2BTK
SCHEMBL13601620 0.77 LPL (0.41) LPLLIPGJAK2BTK
SCHEMBL31419590 0.77 LIPE (0.34) LPLLIPGJAK2BTKLIPE
SCHEMBL4872385 0.76 MPL (0.39) LPLLIPGJAK2BTKLIPE
SCHEMBL1478043 0.76 LPL (0.40) LPLLIPGLIPEF2F11
SCHEMBL29556711 0.76 LPL (0.40) LPLLIPGLIPEF2F11

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