SCHEMBL11408296

SCHEMBL11408296

CN(C)C(=O)COC(=O)c1ccc(OC(=O)C2CCCc3ccc(N)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.42
F2 P00734 2/20 0.38
KLK1 P06870 2/20 0.38
PRSS1 P07477 2/20 0.38
SLC22A2 O15244 1/20 0.38
TMPRSS2 O15393 1/20 0.38
HPN P05981 1/20 0.38
PRSS2 P07478 1/20 0.38
CTSL P07711 1/20 0.38
CNR1 P21554 1/20 0.38
PRSS3 P35030 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRD1 P41143 1/20 0.38
HGFAC Q04756 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLC47A2 Q86VL8 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL11414455 0.89 LMNA (0.47) ACHEPRSS1MAPTGAAHTT
SCHEMBL11421682 0.89 CYP1A2 (0.40) ACHEF2PRSS1SLC22A2TMPRSS2
SCHEMBL11412107 0.88 SMN1; SMN2 (0.41) ACHEF2PRSS1PRSS2PRSS3
SCHEMBL11409246 0.87 F2 (0.44) ACHEF2KLK1PRSS1SLC22A2
SCHEMBL11415709 0.86 ACHE (0.40) ACHEC5AR1
SCHEMBL11415715 0.85 ACHE (0.40) ACHEF2KLK1PRSS1SLC22A2
SCHEMBL11467151 0.85 ACHE (0.38) ACHEF2KLK1PRSS1SLC22A2
SCHEMBL11416437 0.81 F2 (0.38) F2KLK1PRSS1SLC22A2TMPRSS2
SCHEMBL11408975 0.79 ACHE (0.44) ACHEHTTTDP1KMT2ALMNA
SCHEMBL11410813 0.79 ACHE (0.44) ACHEPOLBC5AR1

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-4214093-A PROTEOLYTIC ENZYME INHIBITORS TORII & CO., LTD. (JP) 1980-07-22 US claimed