SCHEMBL31067477

SCHEMBL31067477

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2ccc(-n3nc(C(F)(F)F)cc3C(=O)O)cc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.45
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
F10 P00742 5/20 0.36
F2 P00734 2/20 0.35

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
SCHEMBL18604759 1.00 KLKB1 (0.45) KLKB1GRNSORT1F10F2
SCHEMBL18623250 0.88 F10 (0.40) KLKB1GRNSORT1F10F2
SCHEMBL28545917 0.84 ALDH1A1 (0.40) KLKB1
SCHEMBL18604730 0.83 KDM4E (0.37)
SCHEMBL31067421 0.82 KLKB1 (0.47) KLKB1GRNSORT1F10F2
SCHEMBL18604643 0.82 KLKB1 (0.47) KLKB1GRNSORT1F10F2
SCHEMBL18623280 0.80 KLKB1 (0.33) KLKB1
SCHEMBL17064726 0.78 KLKB1 (0.55) KLKB1GRNSORT1F10F2
SCHEMBL30415347 0.77 GAA (0.40) KLKB1
SCHEMBL18605021 0.77 GAA (0.40) KLKB1

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-113307772-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2024-06-28 CN disclosed