SCHEMBL7305539

SCHEMBL7305539

CC(=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C(=O)N(CCC(=O)O)CCC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.72
F2 P00734 4/20 0.72
KLK1 P06870 4/20 0.72
TMPRSS15 P98073 15/20 0.64

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
SCHEMBL3237873 1.00 PRSS1 (0.72) PRSS1F2KLK1TMPRSS15
SCHEMBL3237777 0.96 PRSS1 (0.67) PRSS1F2KLK1TMPRSS15
SCHEMBL3243888 0.95 PRSS1 (0.68) PRSS1F2KLK1TMPRSS15
SCHEMBL7303708 0.93 PRSS1 (0.69) PRSS1F2KLK1TMPRSS15
SCHEMBL7303713 0.93 PRSS1 (0.69) PRSS1F2KLK1TMPRSS15
SCHEMBL3239747 0.92 PRSS1 (0.82) PRSS1F2KLK1TMPRSS15
SCHEMBL3241819 0.91 PRSS1 (0.65) PRSS1F2KLK1TMPRSS15
SCHEMBL3239695 0.91 PRSS1 (0.76) PRSS1F2KLK1TMPRSS15
SCHEMBL3240236 0.89 PRSS1 (0.73) PRSS1F2KLK1TMPRSS15
SCHEMBL3237686 0.87 PRSS1 (0.77) 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 5 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
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP 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