SCHEMBL11467151

SCHEMBL11467151

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.38
F2 P00734 5/20 0.36
PRSS1 P07477 5/20 0.36
KLK1 P06870 2/20 0.36
SLC22A2 O15244 1/20 0.36
TMPRSS2 O15393 1/20 0.36
HPN P05981 1/20 0.36
PRSS2 P07478 1/20 0.36
CTSL P07711 1/20 0.36
CNR1 P21554 1/20 0.36
PRSS3 P35030 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRD1 P41143 1/20 0.36
HGFAC Q04756 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC47A2 Q86VL8 1/20 0.36
SLC47A1 Q96FL8 1/20 0.36
PLAU P00749 4/20 0.35
PLG P00747 3/20 0.35
KLKB1 P03952 3/20 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
SCHEMBL11415767 0.91 RAB9A (0.42) PRSS1MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL11418797 0.91 PLAU (0.37) F2PRSS1PLAUPLGKLKB1
SCHEMBL11414422 0.90 MAPT (0.37) F2PRSS1SLC22A2TMPRSS2HPN
Hydrochloric Acid SCHEMBL11417118 0.90 RAB9A (0.41) PRSS1MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL11417878 0.89 F2 (0.42) ACHEF2PRSS1KLK1SLC22A2
SCHEMBL11414495 0.88 C5AR1 (0.37) ACHEF2PRSS1PLAUPLG
SCHEMBL11414503 0.87 ALDH1A1 (0.36) ACHEF2PRSS1KLK1SLC22A2
Hydrochloric Acid SCHEMBL11418773 0.86 KMT2A (0.40) ACHEF2PRSS1TMPRSS2PLAU
SCHEMBL11408296 0.85 ACHE (0.42) ACHEF2PRSS1KLK1SLC22A2
SCHEMBL11409502 0.82 NPC1 (0.41) ACHEF2PRSS1TMPRSS2PLAU

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