SCHEMBL12468157

SCHEMBL12468157

CC1(C)OB(c2c(F)cccc2C=O)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.43
LPL P06858 5/20 0.37
LIPG Q9Y5X9 5/20 0.37
JAK2 O60674 2/20 0.34
BTK Q06187 2/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
P4HB P07237 1/20 0.31
ROCK1 Q13464 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TLR2 O60603 1/20 0.30
TLR1 Q15399 1/20 0.30
TLR6 Q9Y2C9 1/20 0.30
CA1 P00915 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
SCHEMBL15077376 0.88 MEN1 (0.39) ERN1LPLLIPGMEN1LMNA
SCHEMBL24832714 0.84 LPL (0.37) LPLLIPGJAK2BTKNFE2L2
SCHEMBL15026275 0.82 LPL (0.46) LPLLIPGJAK2BTKROCK1
SCHEMBL29458861 0.82 ALDH1A1 (0.46) ERN1LPLLIPGMEN1LMNA
SCHEMBL12665647 0.82 ALDH1A1 (0.46) ERN1LPLLIPGMEN1LMNA
SCHEMBL27123031 0.81 TDP1 (0.37) ERN1LPLLIPGJAK2BTK
SCHEMBL19950586 0.81 LPL (0.37) ERN1LPLLIPG
SCHEMBL13073970 0.81 ERN1 (0.46) ERN1LPLLIPGMEN1LMNA
SCHEMBL29398633 0.81 TDP1 (0.37) ERN1LPLLIPGJAK2BTK
SCHEMBL25669921 0.80 LPL (0.34) ERN1LPLLIPGJAK2BTK

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-2613788-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2013-07-17 EP disclosed
WO-2012033858-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-03-15 WO disclosed