SCHEMBL28033295

SCHEMBL28033295

CC1(C)OB(c2ccc(CCBr)cc2F)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.41
LPL P06858 7/20 0.41
F11 P03951 2/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ESR2 Q92731 1/20 0.31
CXCR2 P25025 1/20 0.31
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
ROCK1 Q13464 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL258023 0.88 LPL (0.39) LIPGLPLF11F2PRSS1
SCHEMBL13198632 0.86 LIPG (0.57) LIPGLPLF11F2PRSS1
SCHEMBL16865630 0.86 LIPG (0.51) LIPGLPLF11F2PRSS1
SCHEMBL18953871 0.85 LIPG (0.41) LIPGLPLF11F2PRSS1
SCHEMBL12533689 0.83 LPL (0.40) LIPGLPLF11F2PRSS1
SCHEMBL441381 0.83 LPL (0.44) LIPGLPLF11F2PRSS1
SCHEMBL20512775 0.82 LIPG (0.39) LIPGLPLF11F2PRSS1
SCHEMBL14707184 0.81 LIPG (0.39) LIPGLPLF11F2PRSS1
SCHEMBL22748247 0.81 LPL (0.61) LIPGLPL
SCHEMBL22768361 0.79 LPL (0.37) LIPGLPLF11ESR2JAK2

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
CN-102666541-B Purine or deazapurine derivatives for the treatment of, in particular, viral infections GILEAD SCIENCES, INC. (US) 2015-11-25 CN disclosed