SCHEMBL19387844

SCHEMBL19387844

O=C(N[C@@H](CCC1CCC1)B(O)O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ ST14 Q9Y5Y6 1/20 0.44
▸ SCN9A Q15858 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MGLL Q99685 8/20 0.41
▸ FAAH O00519 4/20 0.41
▸ LIPE Q05469 1/20 0.41
▸ ITGB3 P05106 5/20 0.39
▸ ITGAV P06756 5/20 0.39
▸ ITGA2B P08514 5/20 0.39
▸ PSMB11 A5LHX3 1/20 0.39
▸ PSMA7 O14818 1/20 0.39
▸ PSMB1 P20618 1/20 0.39
▸ PSMA1 P25786 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
SCHEMBL3134109 0.94 PSMB11 (0.46) F2F10PLGPLAUST14
SCHEMBL2507635 0.91 F2 (0.44) F2F10PLGPLAUST14
SCHEMBL19381919 0.83 MGLL (0.40) F2F10PLGPLAUST14
SCHEMBL19382404 0.80 PSMB5 (0.53) F2F10PLGPLAUST14
SCHEMBL3143565 0.80 PSMB5 (0.53) F2F10PLGPLAUST14
SCHEMBL13380914 0.79 PSMB5 (0.49) F2MMP2MMP9PSMB11PSMA7
SCHEMBL2512498 0.77 PSMB5 (0.50) F2F10PLGPLAUST14
SCHEMBL19387801 0.77 PSMB5 (0.45) F2F10PLGPLAUST14
SCHEMBL19687309 0.75 ALDH1A1 (0.42) F2F10PLGPLAUST14
SCHEMBL3149645 0.73 PSMB5 (0.51) F2F10PLGPLAUST14

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
US-9771381-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-26 — — US disclosed
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