SCHEMBL7315250

SCHEMBL7315250

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

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.68
F2 P00734 6/20 0.68
KLK1 P06870 4/20 0.68
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
PLG P00747 1/20 0.37
TMPRSS15 P98073 10/20 0.37
ACR P10323 1/20 0.34
F10 P00742 1/20 0.32

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
SCHEMBL7303395 0.94 PRSS1 (0.68) PRSS1F2KLK1KDM4EMEN1
SCHEMBL7315733 0.88 PRSS1 (0.60) PRSS1F2KLK1KDM4EMEN1
SCHEMBL7313214 0.87 PRSS1 (0.59) PRSS1F2KLK1KDM4EMEN1
SCHEMBL7316976 0.85 PRSS1 (0.68) PRSS1F2KLK1KDM4EMEN1
SCHEMBL7312697 0.83 PRSS1 (0.69) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3245051 0.81 PRSS1 (1.00) PRSS1F2KLK1KDM4EMEN1
SCHEMBL7311244 0.81 PRSS1 (1.00) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3239639 0.81 PRSS1 (0.76) PRSS1F2KLK1KDM4EMEN1
Acetic Acid SCHEMBL7312877 0.80 PRSS1 (0.96) PRSS1F2KLK1KDM4EMEN1
Acetic Acid SCHEMBL7311943 0.80 PRSS1 (0.96) PRSS1F2KLK1KDM4EMEN1

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-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