SCHEMBL5573484

SCHEMBL5573484

CCOC(=O)CCCN(C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 11/20 0.61
F2 P00734 5/20 0.61
KLK1 P06870 4/20 0.61
TMPRSS15 P98073 11/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 1/20 0.41
SLC22A2 O15244 1/20 0.38
TMPRSS2 O15393 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
F12 P00748 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL3240729 0.97 PRSS1 (0.59) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3230753 0.96 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3237775 0.96 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3240050 0.95 PRSS1 (0.63) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7311823 0.94 PRSS1 (0.60) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3233274 0.94 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7315085 0.94 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3237754 0.91 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3237746 0.91 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3245435 0.91 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15MEN1

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
EP-1815865-A1 THERAPEUTIC AGENT FOR DIABETES COMPRISING PROTEASE-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-08 EP disclosed