SCHEMBL29124648

SCHEMBL29124648

Cc1c(COC(N)=O)ccc(B2OC(C)(C)C(C)(C)O2)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 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
CXCR2 P25025 3/20 0.32
LPL P06858 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL29096753 0.91 F11 (0.34) UCHL1F11F2PRSS1PRSS2
SCHEMBL29095166 0.84 CXCR2 (0.36) UCHL1F11F2PRSS1PRSS2
SCHEMBL23605476 0.78 LPL (0.36) F11ROCK1LPLLIPG
SCHEMBL14934883 0.78 CXCR2 (0.39) UCHL1F11F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL29418559 0.77 LPL (0.35) F11ROCK1LPLLIPG
SCHEMBL29418680 0.77 CXCR2 (0.35) F11F2PRSS1PRSS2PRSS3
SCHEMBL22659432 0.77 CXCR2 (0.35) F11F2PRSS1PRSS2PRSS3
SCHEMBL29279137 0.76 ROCK1 (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL28881319 0.75 F11 (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL28903798 0.73 ALDH1A1 (0.37) F11F2PRSS1PRSS2PRSS3

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-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed