SCHEMBL23367881

SCHEMBL23367881

CCc1cc(Cc2ccccc2)c(F)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.38
▸ LIPG Q9Y5X9 9/20 0.36
▸ LPL P06858 8/20 0.36
▸ ANPEP P15144 1/20 0.35
▸ LAP3 P28838 1/20 0.35
▸ JAK2 O60674 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ BCL2 P10415 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ DGAT1 O75907 1/20 0.31
▸ CXCR2 P25025 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
SCHEMBL29652912 0.80 DGAT1 (0.40) DGAT1
SCHEMBL17258894 0.80 DGAT1 (0.40) DGAT1
SCHEMBL16637155 0.80 LPL (0.36) ROCK1LIPGLPLJAK2BTK
SCHEMBL18805560 0.76 JAK2 (0.36) ROCK1LIPGLPLJAK2BTK
SCHEMBL29003349 0.75 ROCK1 (0.35) ROCK1LIPGLPLJAK2BTK
SCHEMBL29470635 0.75 ROCK1 (0.35) ROCK1LIPGLPLJAK2BTK
SCHEMBL15450937 0.74 LIPG (0.40) ROCK1LIPGLPL
SCHEMBL21191016 0.74 ANPEP (0.40) LIPGLPLANPEPLAP3ALOX5
SCHEMBL25656297 0.73 LMNA (0.48) ROCK1LIPGCXCR2
SCHEMBL27090098 0.73 DGAT1 (0.40) DGAT1

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-3592742-B1 JAK INHIBITORS CONTAINING A 4-MEMBERED HETEROCYCLIC AMIDE THERAVANCE BIOPHARMA R&D IP LLC (US) 2021-05-19 — — EP disclosed
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