SCHEMBL7301048

SCHEMBL7301048

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

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 13/20 0.69
F2 P00734 7/20 0.69
KLK1 P06870 4/20 0.69
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HSP90AA1 P07900 2/20 0.47
HPGD P15428 1/20 0.47
TMPRSS15 P98073 8/20 0.41
ACR P10323 1/20 0.39
LMNA P02545 1/20 0.37
F10 P00742 3/20 0.36

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
SCHEMBL7312697 0.94 PRSS1 (0.69) PRSS1F2KLK1KDM4EMAPT
SCHEMBL7313912 0.93 PRSS1 (0.61) PRSS1F2KLK1KDM4EMAPT
SCHEMBL7313541 0.93 PRSS1 (0.60) PRSS1F2KLK1KDM4EMAPT
SCHEMBL3239639 0.86 PRSS1 (0.76) PRSS1F2KLK1KDM4EMAPT
SCHEMBL7310485 0.86 PRSS1 (0.68) PRSS1F2KLK1KDM4EMAPT
SCHEMBL3242330 0.83 PRSS1 (0.80) PRSS1F2KLK1KDM4EMAPT
SCHEMBL3236334 0.83 PRSS1 (0.71) PRSS1F2KLK1KDM4EMAPT
SCHEMBL3237750 0.83 PRSS1 (0.80) PRSS1F2KLK1KDM4EMAPT
SCHEMBL7312034 0.83 PRSS1 (0.71) PRSS1F2KLK1KDM4EMAPT
SCHEMBL3237730 0.83 PRSS1 (0.71) PRSS1F2KLK1KDM4EMAPT

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