SCHEMBL29095166

SCHEMBL29095166

CC1(C)OB(c2cccc(COC(N)=O)c2F)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.36
AOC3 Q16853 5/20 0.34
LIPE Q05469 4/20 0.34
F11 P03951 3/20 0.33
F2 P00734 2/20 0.33
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
ROCK1 Q13464 1/20 0.33
JAK2 O60674 2/20 0.32
BTK Q06187 2/20 0.32
UCHL1 P09936 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL29096753 0.90 F11 (0.34) CXCR2LIPEF11F2PRSS1
SCHEMBL14934883 0.87 CXCR2 (0.39) CXCR2LIPEF11F2PRSS1
SCHEMBL29124648 0.84 UCHL1 (0.34) CXCR2F11F2PRSS1PRSS2
SCHEMBL17802731 0.83 CXCR2 (0.38) CXCR2LIPEF11F2PRSS1
SCHEMBL28903798 0.82 ALDH1A1 (0.37) F11F2PRSS1PRSS2PRSS3
SCHEMBL17389030 0.79 LIPG (0.39) CXCR2ROCK1JAK2BTKLIPG
SCHEMBL20237032 0.78 JAK2 (0.37) CXCR2ROCK1JAK2BTKLIPG
SCHEMBL30615277 0.78 JAK2 (0.37) CXCR2F11ROCK1JAK2BTK
SCHEMBL17951295 0.78 JAK2 (0.37) CXCR2F11ROCK1JAK2BTK
SCHEMBL20237129 0.77 LPL (0.33) CXCR2JAK2BTKLIPG

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-112272553-B Substituted benzofurans, benzopyrroles, benzothiophenes and structurally related complement inhibitors 拜奥克里斯特制药公司 2023-09-22 CN disclosed