SCHEMBL7303523

SCHEMBL7303523

CCOC(=O)CC(NC(=O)C(C)=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 14/20 0.57
F2 P00734 6/20 0.57
KLK1 P06870 4/20 0.57
TMPRSS15 P98073 9/20 0.51
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
F10 P00742 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
ACR P10323 1/20 0.39

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
SCHEMBL3245001 1.00 PRSS1 (0.57) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3242403 0.93 PRSS1 (0.51) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3242356 0.90 PRSS1 (0.59) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3239705 0.90 PRSS1 (0.54) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3239689 0.90 PRSS1 (0.54) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3243407 0.89 PRSS1 (0.54) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3233048 0.88 PRSS1 (0.54) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3245015 0.88 PRSS1 (0.53) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3241531 0.88 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL7302516 0.88 PRSS1 (0.58) PRSS1F2KLK1TMPRSS15KDM4E

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