SCHEMBL28680653

SCHEMBL28680653

CC1(C)OB(c2ccc(CC(Cc3ccccc3)OC(N)=O)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F11 P03951 4/20 0.49
F2 P00734 3/20 0.49
PRSS1 P07477 2/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49
LIPG Q9Y5X9 7/20 0.48
LPL P06858 6/20 0.46
ESR2 Q92731 1/20 0.45
ANPEP P15144 1/20 0.45
LAP3 P28838 1/20 0.45
P4HB P07237 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
F10 P00742 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
DGAT1 O75907 1/20 0.39

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
SCHEMBL534422 0.84 ANPEP (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL28623123 0.79 CA1 (0.46) F11F2PRSS1PRSS2PRSS3
SCHEMBL28623122 0.79 CA1 (0.46) F11F2PRSS1PRSS2PRSS3
SCHEMBL20905534 0.78 LIPG (0.46) F11F2PRSS1PRSS2PRSS3
SCHEMBL12675946 0.76 SLC7A5 (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL16501554 0.74 ESR2 (0.52) F11F2PRSS1PRSS2PRSS3
SCHEMBL17894215 0.74 ESR2 (0.56) F11F2PRSS1PRSS2PRSS3
SCHEMBL5336869 0.74 F11 (0.56) F11F2PRSS1PRSS2PRSS3
SCHEMBL7903372 0.74 F11 (0.50) F11F2PRSS1PRSS2PRSS3
SCHEMBL9280171 0.73 CTSK (0.55) LAP3

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-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed