SCHEMBL28817155

SCHEMBL28817155

CC1(C)OB(c2ccc(C3(COC(N)=O)CC3)cc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.44
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 5/20 0.42
F2 P00734 2/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
LIPG Q9Y5X9 8/20 0.39
LPL P06858 7/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
P4HB P07237 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL28817245 0.95 F11 (0.42) F11CA1CA2CA9F2
SCHEMBL16050222 0.88 LIPG (0.40) F11CA1CA2CA9F2
SCHEMBL19951603 0.82 HSD11B1 (0.36) F11CA1CA2CA9F2
SCHEMBL6059 0.78 GAA (0.49) F11CA1CA2CA9F2
SCHEMBL14710585 0.77 DGAT1 (0.41) F11CA1CA2CA9F2
SCHEMBL12327234 0.77 LIPG (0.47) F11CA1CA2CA9F2
SCHEMBL28490255 0.77 CA1 (0.44) F11CA1CA2CA9F2
SCHEMBL5336869 0.76 F11 (0.56) F11CA1CA2CA9F2
SCHEMBL3680238 0.76 F11 (0.48) F11CA1CA2CA9F2
SCHEMBL14790219 0.75 LIPG (0.53) F11CA1CA2CA9LIPG

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-108341774-B Substituted quinolinone inhibitors 首药控股(北京)股份有限公司 2022-07-19 CN disclosed