SCHEMBL7309079

SCHEMBL7309079

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

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 18/20 0.81
F2 P00734 5/20 0.81
KLK1 P06870 5/20 0.81
TMPRSS15 P98073 13/20 0.43
FTO Q9C0B1 1/20 0.35

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
SCHEMBL7189652 0.93 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15
SCHEMBL7189654 0.93 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15
SCHEMBL7304805 0.90 PRSS1 (0.70) PRSS1F2KLK1TMPRSS15
SCHEMBL1650235 0.90 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15FTO
SCHEMBL5574445 0.89 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15FTO
SCHEMBL5569896 0.89 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15FTO
SCHEMBL7309075 0.89 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15FTO
SCHEMBL3245051 0.88 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15
SCHEMBL7311244 0.88 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15
SCHEMBL7191629 0.87 PRSS1 (0.85) 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 3 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
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed