SCHEMBL11269733

SCHEMBL11269733

CCC(C)NC(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
F2 P00734 2/20 0.46
KLK1 P06870 2/20 0.46
PRSS1 P07477 2/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
SLC22A2 O15244 1/20 0.46
TMPRSS2 O15393 1/20 0.46
HPN P05981 1/20 0.46
PRSS2 P07478 1/20 0.46
CTSL P07711 1/20 0.46
CNR1 P21554 1/20 0.46
PRSS3 P35030 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRD1 P41143 1/20 0.46
HGFAC Q04756 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC47A2 Q86VL8 1/20 0.46

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
SCHEMBL11307411 0.91 STAT3 (0.50) SMN1; SMN2KLK1PRSS1NPC1POLB
SCHEMBL11272927 0.90 GAA (0.49) SMN1; SMN2PRSS1RAB9ASTAT3ALDH1A1
SCHEMBL16355694 0.85 PRSS1 (0.49) KLK7SMN1; SMN2F2KLK1PRSS1
SCHEMBL11264175 0.83 KLK7 (0.60) KLK7SMN1; SMN2F2KLK1PRSS1
SCHEMBL11271175 0.83 KLK7 (0.47) KLK7SMN1; SMN2F2KLK1PRSS1
SCHEMBL11277920 0.83 KLK7 (0.47) KLK7SMN1; SMN2F2KLK1PRSS1
SCHEMBL11313369 0.82 TMPRSS15 (0.47) SMN1; SMN2KLK1PRSS1NPC1RAB9A
SCHEMBL11304419 0.82 STAT3 (0.50) SMN1; SMN2PRSS1NPC1RAB9ASTAT3
SCHEMBL11280102 0.81 KLK7 (0.46) KLK7SMN1; SMN2F2KLK1PRSS1
SCHEMBL11271598 0.81 KLK7 (0.46) KLK7SMN1; SMN2F2KLK1PRSS1

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-4310533-A INHIBITING PLASMIN AND-OR TRYSIN ACTIVITY ONO PHARMACEUTICAL CO., LTD. (JP) 1982-01-12 US disclosed