SCHEMBL7304805

SCHEMBL7304805

C=CCN(CCCC(=O)OS(C)(=O)=O)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.70
F2 P00734 4/20 0.70
KLK1 P06870 4/20 0.70
TMPRSS15 P98073 15/20 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
SCHEMBL7309079 0.90 PRSS1 (0.81) PRSS1F2KLK1TMPRSS15
SCHEMBL7304798 0.89 PRSS1 (0.81) PRSS1F2KLK1TMPRSS15
SCHEMBL3234905 0.89 PRSS1 (0.81) PRSS1F2KLK1TMPRSS15
SCHEMBL3238641 0.88 PRSS1 (0.80) PRSS1F2KLK1TMPRSS15
SCHEMBL7315025 0.88 PRSS1 (0.80) PRSS1F2KLK1TMPRSS15
SCHEMBL3239747 0.84 PRSS1 (0.82) PRSS1F2KLK1TMPRSS15
SCHEMBL7189652 0.84 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15
SCHEMBL7189654 0.84 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15
SCHEMBL3245689 0.84 PRSS1 (0.83) PRSS1F2KLK1TMPRSS15
SCHEMBL13459736 0.82 PRSS1 (0.82) PRSS1F2KLK1TMPRSS15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5432178-A Substituted benzoic acid esters; use to prevent or treat inflammatory diseases, allergic diseases, disseminated intravascular coagulation, pancreatitis or multiple organ failure ONO PHARMACEUTICAL CO., LTD. (JP) 1995-07-11 US disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed